smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(Br)CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278782418 862475650 /nfs/dbraw/zinc/47/56/50/862475650.db2.gz WWVWPOQIXSIRPV-UMVBOHGHSA-N 2 0 360.296 0.788 10 30 FCEERP O=C1CC[C@H]([NH2+]CC#CC[NH2+][C@H]2CCC(=O)NC23CCC3)C2(CCC2)N1 ZINC000366968729 489201312 /nfs/dbraw/zinc/20/13/12/489201312.db2.gz GUQLJLCRXNCVGU-HOTGVXAUSA-N 2 0 358.486 0.572 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000561121407 491576371 /nfs/dbraw/zinc/57/63/71/491576371.db2.gz NLBOYFVZEVDGMA-KRWDZBQOSA-N 2 0 366.506 0.370 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000581901115 491789849 /nfs/dbraw/zinc/78/98/49/491789849.db2.gz FTHWYBQBQJELJX-RDJZCZTQSA-N 2 0 350.507 0.942 10 30 FCEERP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000599877228 492212954 /nfs/dbraw/zinc/21/29/54/492212954.db2.gz YAGCPLVRLZFCFF-UHFFFAOYSA-N 2 0 373.457 0.801 10 30 FCEERP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662337891 493507944 /nfs/dbraw/zinc/50/79/44/493507944.db2.gz NLAKXQJYKAPZJM-WBVHZDCISA-N 2 0 358.490 0.786 10 30 FCEERP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCc2ncnn2C1 ZINC000262753220 526350583 /nfs/dbraw/zinc/35/05/83/526350583.db2.gz AJYYVRIBFZOUNO-OAHLLOKOSA-N 2 0 361.494 0.403 10 30 FCEERP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262017148 526371052 /nfs/dbraw/zinc/37/10/52/526371052.db2.gz XYCWLVXKJDRTEG-SOUVJXGZSA-N 2 0 359.540 0.162 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261815147 526372722 /nfs/dbraw/zinc/37/27/22/526372722.db2.gz HYXQKZXSRTXDTI-OAHLLOKOSA-N 2 0 352.527 0.139 10 30 FCEERP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262002895 526377763 /nfs/dbraw/zinc/37/77/63/526377763.db2.gz UWRCCRHRAJCDGQ-RRFJBIMHSA-N 2 0 359.540 0.304 10 30 FCEERP CC[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261960357 528805263 /nfs/dbraw/zinc/80/52/63/528805263.db2.gz JZEOYCAUAMMGKP-UHFFFAOYSA-N 2 0 373.567 0.098 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](Oc2ccccn2)C1 ZINC000261958603 528811684 /nfs/dbraw/zinc/81/16/84/528811684.db2.gz JNGASRZGSHYCEV-SJORKVTESA-N 2 0 358.490 0.500 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000929464161 673957349 /nfs/dbraw/zinc/95/73/49/673957349.db2.gz BXCNRHUDINKSRD-GOSISDBHSA-N 2 0 366.531 0.096 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H](CC)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001746159713 1192246612 /nfs/dbraw/zinc/24/66/12/1192246612.db2.gz ZTKCWPCWVSGFGV-BPQIPLTHSA-N 2 0 362.518 0.683 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001746160884 1192252409 /nfs/dbraw/zinc/25/24/09/1192252409.db2.gz QPXRQEDZKBOABV-BPQIPLTHSA-N 2 0 362.518 0.683 10 30 FCEERP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001482875203 1192417349 /nfs/dbraw/zinc/41/73/49/1192417349.db2.gz XZWZVQRZWFGXSR-JQHSSLGASA-N 2 0 371.485 0.456 10 30 FCEERP C#CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268744782 1187768297 /nfs/dbraw/zinc/76/82/97/1187768297.db2.gz CAVQILWGYSZNIL-UHOSZYNNSA-N 2 0 370.497 0.518 10 30 FCEERP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000088240455 1193761575 /nfs/dbraw/zinc/76/15/75/1193761575.db2.gz YFBYYFMBJNPEBA-AWEZNQCLSA-N 2 0 373.509 0.554 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000910887949 1195858340 /nfs/dbraw/zinc/85/83/40/1195858340.db2.gz WHPOSQJHQJCNHF-GOSISDBHSA-N 2 0 360.502 0.676 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000928654933 1211608334 /nfs/dbraw/zinc/60/83/34/1211608334.db2.gz IHVVLEPGIGWWSX-AEFFLSMTSA-N 2 0 360.502 0.533 10 30 FCEERP C#CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000929694356 1211655781 /nfs/dbraw/zinc/65/57/81/1211655781.db2.gz KEXDKXSWNPXHKI-DLBZAZTESA-N 2 0 362.518 0.779 10 30 FCEERP C=CC[C@H]1CC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]2CC=C)CC1 ZINC000934470832 1211862742 /nfs/dbraw/zinc/86/27/42/1211862742.db2.gz FWVFRJJDZUIAOW-ROUUACIJSA-N 2 0 360.502 0.958 10 30 FCEERP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCC[NH+]2CCOCC2)CC1 ZINC000303875600 1213445315 /nfs/dbraw/zinc/44/53/15/1213445315.db2.gz DNXHMTLRRZWPIT-UHFFFAOYSA-N 2 0 369.510 0.966 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC001120974240 1222135576 /nfs/dbraw/zinc/13/55/76/1222135576.db2.gz QSKBPGAZTONMPN-UHFFFAOYSA-N 2 0 372.473 0.302 10 30 FCEERP C=C(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122591773 1222283252 /nfs/dbraw/zinc/28/32/52/1222283252.db2.gz SSBRYLUWISWRSY-OFQRWUPVSA-N 2 0 360.462 0.870 10 30 FCEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)C ZINC001335767746 1259829654 /nfs/dbraw/zinc/82/96/54/1259829654.db2.gz HLDKXWIJBGTRGX-LPHOPBHVSA-N 2 0 366.506 0.113 10 30 FCEERP C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1CCC[NH2+]CC(=O)NCC#N ZINC001479589918 1263266508 /nfs/dbraw/zinc/26/65/08/1263266508.db2.gz NLXLQUWABQKKKZ-BRWVUGGUSA-N 2 0 363.506 0.717 10 30 FCEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cnn(C)c1 ZINC001316668842 1263410180 /nfs/dbraw/zinc/41/01/80/1263410180.db2.gz CLMVFWGKQDTQCL-GBESFXJTSA-N 2 0 355.486 0.669 10 30 FCEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1OCC ZINC001316694115 1263424629 /nfs/dbraw/zinc/42/46/29/1263424629.db2.gz ZRMSNSCFZSPARS-SJLPKXTDSA-N 2 0 361.490 0.535 10 30 FCEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001483983956 1263452336 /nfs/dbraw/zinc/45/23/36/1263452336.db2.gz GPJBGQQDQWGGJK-JFIYKMOQSA-N 2 0 362.518 0.730 10 30 FCEERP C[C@@H]1[C@H](C(=O)NCc2ccc(CC[NH2+]CC(=O)NCC#N)cc2)CC[N@@H+]1C ZINC001317366119 1263508594 /nfs/dbraw/zinc/50/85/94/1263508594.db2.gz JKMZBOOQTNJTTG-CRAIPNDOSA-N 2 0 371.485 0.415 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001318991523 1263635931 /nfs/dbraw/zinc/63/59/31/1263635931.db2.gz VTVDKLHQZYRBRK-FRQCXROJSA-N 2 0 370.497 0.871 10 30 FCEERP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)NCC#N ZINC001507124614 1264351383 /nfs/dbraw/zinc/35/13/83/1264351383.db2.gz MTAVFCPRGDRRGK-JQHSSLGASA-N 2 0 371.485 0.408 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001324318688 1264618348 /nfs/dbraw/zinc/61/83/48/1264618348.db2.gz OOXWQJLPUGEWBA-YESZJQIVSA-N 2 0 362.518 0.825 10 30 FCEERP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001325097288 1264774581 /nfs/dbraw/zinc/77/45/81/1264774581.db2.gz LMYWDPLXLLAHMG-YFVAEKQCSA-N 2 0 355.482 0.931 10 30 FCEERP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001325138679 1264784968 /nfs/dbraw/zinc/78/49/68/1264784968.db2.gz VTYIEILDYLMGDH-SVFBPWRDSA-N 2 0 355.482 0.908 10 30 FCEERP C#CCNC(=O)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001565987993 1269541075 /nfs/dbraw/zinc/54/10/75/1269541075.db2.gz NIIPFEAZKCOUKP-FGTMMUONSA-N 2 0 362.518 0.684 10 30 FCEERP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001566048371 1269581284 /nfs/dbraw/zinc/58/12/84/1269581284.db2.gz LEGCQQSRBGZLLV-FGTMMUONSA-N 2 0 362.518 0.895 10 30 FCEERP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001570052074 1269833215 /nfs/dbraw/zinc/83/32/15/1269833215.db2.gz HPOIHDXOJGRSRF-BRWVUGGUSA-N 2 0 362.518 0.942 10 30 FCEERP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713890325 1287306374 /nfs/dbraw/zinc/30/63/74/1287306374.db2.gz GXKLWXHXQURQEZ-BRWVUGGUSA-N 2 0 350.507 0.799 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCC ZINC001707168697 1286489102 /nfs/dbraw/zinc/48/91/02/1286489102.db2.gz RYIOQADTKBZJRV-IKGGRYGDSA-N 2 0 350.507 0.683 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCC[NH+](C)C)CC1 ZINC001736555293 1289436217 /nfs/dbraw/zinc/43/62/17/1289436217.db2.gz DVDOGNMNJFCBNH-QRVBRYPASA-N 2 0 374.529 0.922 10 30 FCEERP N#CC1(C[C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001331852376 873274604 /nfs/dbraw/zinc/27/46/04/873274604.db2.gz XHBVHZCJSZPGMA-HOTGVXAUSA-N 2 0 352.479 0.235 10 30 FCEERP N#CC1(C[C@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC001331852373 873275393 /nfs/dbraw/zinc/27/53/93/873275393.db2.gz XHBVHZCJSZPGMA-CVEARBPZSA-N 2 0 352.479 0.235 10 30 FCEERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000420108911 246472830 /nfs/dbraw/zinc/47/28/30/246472830.db2.gz CVGDQQJJIJDMQS-MAUKXSAKSA-N 2 0 371.485 0.563 10 30 FCEERP CN(C)C(=O)CNC(N[C@@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]C1CCOCC1 ZINC000262317044 229302172 /nfs/dbraw/zinc/30/21/72/229302172.db2.gz QXXWNWZAMMKYAQ-MRXNPFEDSA-N 2 0 365.522 0.806 10 30 FCEERP CN1CCO[C@@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@@H]21 ZINC000328876003 488946218 /nfs/dbraw/zinc/94/62/18/488946218.db2.gz KAEKWCGPFIBTDC-JKSUJKDBSA-N 2 0 353.511 0.331 10 30 FCEERP O=C1CC[C@@H]([NH2+]CC#CC[NH2+][C@@H]2CCC(=O)NC23CCC3)C2(CCC2)N1 ZINC000366968730 489200949 /nfs/dbraw/zinc/20/09/49/489200949.db2.gz GUQLJLCRXNCVGU-HZPDHXFCSA-N 2 0 358.486 0.572 10 30 FCEERP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)ccn2)CC1 ZINC000600715028 491878230 /nfs/dbraw/zinc/87/82/30/491878230.db2.gz DFGSTCCZLZVOMJ-SFHVURJKSA-N 2 0 373.501 0.994 10 30 FCEERP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595279248 491912000 /nfs/dbraw/zinc/91/20/00/491912000.db2.gz YOHWZMRYQDBMJC-UHFFFAOYSA-N 2 0 369.469 0.317 10 30 FCEERP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000601580028 491936183 /nfs/dbraw/zinc/93/61/83/491936183.db2.gz IICYOEVUGDMFES-CRAIPNDOSA-N 2 0 371.485 0.502 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659706812 493265284 /nfs/dbraw/zinc/26/52/84/493265284.db2.gz OYDVNKZWYZGZFX-KRWDZBQOSA-N 2 0 362.518 0.991 10 30 FCEERP C[C@H]1CN(C(=[NH2+])NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCO1 ZINC000262492307 533788037 /nfs/dbraw/zinc/78/80/37/533788037.db2.gz VGXYKEDLBOJYRD-AWEZNQCLSA-N 2 0 353.511 0.649 10 30 FCEERP C[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261771554 526355669 /nfs/dbraw/zinc/35/56/69/526355669.db2.gz PGYZHEFNNCJSRM-OAHLLOKOSA-N 2 0 361.494 0.519 10 30 FCEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(NCC1CCN(S(C)(=O)=O)CC1)=[NH+]C ZINC000162277974 529058299 /nfs/dbraw/zinc/05/82/99/529058299.db2.gz APUZOOWHZLCAPK-MRXNPFEDSA-N 2 0 373.567 0.650 10 30 FCEERP CC[NH+]1CCN([C@@H](C)CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000158569033 529150613 /nfs/dbraw/zinc/15/06/13/529150613.db2.gz HWNURSGOXJGBOL-HNNXBMFYSA-N 2 0 373.567 0.097 10 30 FCEERP CC[NH+]1CCN([C@H](C)CNC(=[NH+]C)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000261677297 529151824 /nfs/dbraw/zinc/15/18/24/529151824.db2.gz CRJPVDLVVMKQTH-APWZRJJASA-N 2 0 364.538 0.190 10 30 FCEERP C#C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000875747034 672912494 /nfs/dbraw/zinc/91/24/94/672912494.db2.gz GREYKTZUDHRSHP-KZNAEPCWSA-N 2 0 350.507 0.796 10 30 FCEERP C=CCN1CC[C@@H]([NH+](CC)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1=O ZINC001480975687 1181859680 /nfs/dbraw/zinc/85/96/80/1181859680.db2.gz DMIGNKYSZSHMBK-GVDBMIGSSA-N 2 0 350.507 0.942 10 30 FCEERP C=C1[C@H](C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000908350464 1195740133 /nfs/dbraw/zinc/74/01/33/1195740133.db2.gz ZENYDDRDOBFKCZ-XFZGEKFBSA-N 2 0 358.486 0.114 10 30 FCEERP C#CCN(C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000910885248 1195857458 /nfs/dbraw/zinc/85/74/58/1195857458.db2.gz JPQSHBQTWBYFEM-QGZVFWFLSA-N 2 0 362.518 0.875 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000928654937 1211608123 /nfs/dbraw/zinc/60/81/23/1211608123.db2.gz IHVVLEPGIGWWSX-WMZOPIPTSA-N 2 0 360.502 0.533 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000928655430 1211608394 /nfs/dbraw/zinc/60/83/94/1211608394.db2.gz RGMOONSQPJPJHM-UHFFFAOYSA-N 2 0 355.486 0.808 10 30 FCEERP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](CC)C2)[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000900307514 1217977811 /nfs/dbraw/zinc/97/78/11/1217977811.db2.gz KYHRLYWAQDXAPT-XSLAGTTESA-N 2 0 362.518 0.705 10 30 FCEERP C=C1[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000900708606 1218029018 /nfs/dbraw/zinc/02/90/18/1218029018.db2.gz CXAKXDIFVGEBDU-TVFCKZIOSA-N 2 0 362.518 0.609 10 30 FCEERP C#CCN(C(=O)C(=C)C[NH+](C)C)C1CCN(C(=O)C(=C)C[NH+](C)C)CC1 ZINC000831551240 1222499254 /nfs/dbraw/zinc/49/92/54/1222499254.db2.gz LXYILYORFCEKCQ-UHFFFAOYSA-N 2 0 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C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)NCC#N ZINC001567230830 1269682048 /nfs/dbraw/zinc/68/20/48/1269682048.db2.gz SGVBOMNESVFHEK-JQHSSLGASA-N 2 0 371.485 0.456 10 30 FCEERP C=C(C[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001567436430 1269694777 /nfs/dbraw/zinc/69/47/77/1269694777.db2.gz ULGNSGCPHNZGHQ-UHFFFAOYSA-N 2 0 354.476 0.583 10 30 FCEERP C#CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001715142116 1287345817 /nfs/dbraw/zinc/34/58/17/1287345817.db2.gz PRIULMIYIGWPOJ-FGTMMUONSA-N 2 0 362.518 0.684 10 30 FCEERP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716453050 1287379910 /nfs/dbraw/zinc/37/99/10/1287379910.db2.gz JLRHGQYKHQSVMS-UAGQMJEPSA-N 2 0 357.458 0.066 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CCCC2)CC[N@@H+]1C ZINC001716816751 1287391239 /nfs/dbraw/zinc/39/12/39/1287391239.db2.gz AQTCBHOBUASRTF-YESZJQIVSA-N 2 0 363.506 0.621 10 30 FCEERP 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O=C1C[C@]2(CN1)CCC[NH+](CC#CC[N@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000551393749 1193854745 /nfs/dbraw/zinc/85/47/45/1193854745.db2.gz OBLZAJBSRBMPRY-PMACEKPBSA-N 2 0 358.486 0.194 10 30 FCEERP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919094 1196840397 /nfs/dbraw/zinc/84/03/97/1196840397.db2.gz NZNOBPHHSAFRFE-QGZVFWFLSA-N 2 0 358.442 0.919 10 30 FCEERP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001489191694 1208655376 /nfs/dbraw/zinc/65/53/76/1208655376.db2.gz RPQBKCHFDBMVLG-BBWFWOEESA-N 2 0 360.502 0.389 10 30 FCEERP C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC)C2)[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000900307513 1217977745 /nfs/dbraw/zinc/97/77/45/1217977745.db2.gz KYHRLYWAQDXAPT-XLAORIBOSA-N 2 0 362.518 0.705 10 30 FCEERP C=C1[C@@H](C(=O)NCC2CC[NH+](C)CC2)[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000900486106 1217997855 /nfs/dbraw/zinc/99/78/55/1217997855.db2.gz XZCUBNFOAIKBLY-QZTJIDSGSA-N 2 0 362.518 0.705 10 30 FCEERP 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CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH2+]CC#CCOC ZINC001479547506 1263248744 /nfs/dbraw/zinc/24/87/44/1263248744.db2.gz UEFFYBHJPPBROW-CEXWTWQISA-N 2 0 365.518 0.964 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001316758829 1263463214 /nfs/dbraw/zinc/46/32/14/1263463214.db2.gz NQIIPUIQOFBMOT-KSZLIROESA-N 2 0 362.518 0.637 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCCC1 ZINC001319361598 1263684238 /nfs/dbraw/zinc/68/42/38/1263684238.db2.gz IVPUSUFLGQTSGG-RRFJBIMHSA-N 2 0 357.458 0.670 10 30 FCEERP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001497684120 1263948719 /nfs/dbraw/zinc/94/87/19/1263948719.db2.gz XEGBHEAXXVGMIL-ZSQQTYLHSA-N 2 0 368.481 0.343 10 30 FCEERP C=C1[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)[C@@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001514564952 1265359726 /nfs/dbraw/zinc/35/97/26/1265359726.db2.gz JBZPIERBSPLLGN-TVFCKZIOSA-N 2 0 358.486 0.209 10 30 FCEERP C=C1[C@H](C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)[C@H]1C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001334183225 1266871498 /nfs/dbraw/zinc/87/14/98/1266871498.db2.gz VMBWFUQVJMEUPF-IZPLOLCNSA-N 2 0 358.486 0.114 10 30 FCEERP C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001539430814 1267427645 /nfs/dbraw/zinc/42/76/45/1267427645.db2.gz LZILFMKGPFMKPR-APWZRJJASA-N 2 0 360.506 0.613 10 30 FCEERP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001714036575 1287310587 /nfs/dbraw/zinc/31/05/87/1287310587.db2.gz UOJKTQYWROZQGU-IXDOHACOSA-N 2 0 350.507 0.847 10 30 FCEERP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715325276 1287350393 /nfs/dbraw/zinc/35/03/93/1287350393.db2.gz CDRZYUCASRAFAQ-ARFHVFGLSA-N 2 0 351.495 0.525 10 30 FCEERP C#CCC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001718001771 1287452650 /nfs/dbraw/zinc/45/26/50/1287452650.db2.gz XOFIPYATHBWSLL-FGTMMUONSA-N 2 0 362.518 0.827 10 30 FCEERP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001723127090 1288420952 /nfs/dbraw/zinc/42/09/52/1288420952.db2.gz VMVGSFJPOPOHMD-MSOLQXFVSA-N 2 0 371.485 0.410 10 30 FCEERP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001263861645 859221673 /nfs/dbraw/zinc/22/16/73/859221673.db2.gz ILBJDIXDNACFEC-OVYGPGRDSA-N 2 0 350.507 0.892 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001264562714 859386593 /nfs/dbraw/zinc/38/65/93/859386593.db2.gz NVYVTOLZKLMKRB-IKGGRYGDSA-N 2 0 350.507 0.683 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001353331501 867397406 /nfs/dbraw/zinc/39/74/06/867397406.db2.gz XDRQMYGMPLORGZ-HNNXBMFYSA-N 2 0 350.463 0.621 10 30 FCEERP C=CCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286007566 489346101 /nfs/dbraw/zinc/34/61/01/489346101.db2.gz PUYDFHVMZBTDKS-UHFFFAOYSA-N 2 0 359.474 0.792 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000581901113 491789929 /nfs/dbraw/zinc/78/99/29/491789929.db2.gz FTHWYBQBQJELJX-DOTOQJQBSA-N 2 0 350.507 0.942 10 30 FCEERP C(#CC[N@H+]1CC[C@H](Cn2ccnn2)C1)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139337 493411112 /nfs/dbraw/zinc/41/11/12/493411112.db2.gz HRHBPGYEABKALE-HDICACEKSA-N 2 0 354.462 0.217 10 30 FCEERP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261947497 526352650 /nfs/dbraw/zinc/35/26/50/526352650.db2.gz GHXPNTWPBBBDKP-GDBMZVCRSA-N 2 0 373.567 0.552 10 30 FCEERP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262769365 528803568 /nfs/dbraw/zinc/80/35/68/528803568.db2.gz HGXMSGRWBWZDRZ-INIZCTEOSA-N 2 0 365.522 0.807 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCN(c2ccccn2)CC1 ZINC000261621751 528812976 /nfs/dbraw/zinc/81/29/76/528812976.db2.gz CAGLFZAFWWFZHU-GOSISDBHSA-N 2 0 371.533 0.605 10 30 FCEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268053 529101383 /nfs/dbraw/zinc/10/13/83/529101383.db2.gz HTJVVXQQGZENLV-LSDHHAIUSA-N 2 0 374.555 0.036 10 30 FCEERP C[NH+](C)C[C@@H]1CN(C(=O)NCc2nc(C#N)cs2)C[C@H]1C[NH+](C)C ZINC000897267306 665158191 /nfs/dbraw/zinc/15/81/91/665158191.db2.gz GOEHCWKPQOKMSG-CHWSQXEVSA-N 2 0 350.492 0.896 10 30 FCEERP C#CC[N@@H+](C)CCCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000851661092 671455042 /nfs/dbraw/zinc/45/50/42/671455042.db2.gz FAKRXNMXLYQTDG-UHFFFAOYSA-N 2 0 351.495 0.231 10 30 FCEERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1C[NH+](C)C ZINC000867589802 672343434 /nfs/dbraw/zinc/34/34/34/672343434.db2.gz KAARNAMPQOSGJN-HZPDHXFCSA-N 2 0 350.488 0.918 10 30 FCEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876980329 672991493 /nfs/dbraw/zinc/99/14/93/672991493.db2.gz FVTDDKQMSJBDIV-KGLIPLIRSA-N 2 0 366.897 0.995 10 30 FCEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000901213248 675771472 /nfs/dbraw/zinc/77/14/72/675771472.db2.gz SGSUCGNPUCBJDQ-INIZCTEOSA-N 2 0 359.536 0.852 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001299183344 1190833853 /nfs/dbraw/zinc/83/38/53/1190833853.db2.gz XZTWRXMDELTWGA-NVXWUHKLSA-N 2 0 360.502 0.437 10 30 FCEERP CN1CC[N@H+](C)CC(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000906441696 1195629693 /nfs/dbraw/zinc/62/96/93/1195629693.db2.gz XFSSFXXAJJJJFW-UHFFFAOYSA-N 2 0 357.502 0.942 10 30 FCEERP C#CCN(C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000910886803 1195857846 /nfs/dbraw/zinc/85/78/46/1195857846.db2.gz WEHAHVNXOPJZIH-GOSISDBHSA-N 2 0 360.502 0.629 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000910887084 1195857997 /nfs/dbraw/zinc/85/79/97/1195857997.db2.gz ZBSGGBAXIPLRCO-QGZVFWFLSA-N 2 0 360.502 0.487 10 30 FCEERP C[NH+]1CC[C@@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C#N)C1 ZINC000912535944 1196349808 /nfs/dbraw/zinc/34/98/08/1196349808.db2.gz PFFNLEWFSJPTIZ-IXDOHACOSA-N 2 0 361.490 0.233 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCCO)[C@H](OCC)C2)CC1 ZINC001489022096 1208610598 /nfs/dbraw/zinc/61/05/98/1208610598.db2.gz CPEGXVQEFHTPKG-QZTJIDSGSA-N 2 0 351.491 0.167 10 30 FCEERP C#CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867619150 1210017828 /nfs/dbraw/zinc/01/78/28/1210017828.db2.gz DRXWQLUNRCJKCX-RCCFBDPRSA-N 2 0 362.518 0.446 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](CC)CC)C3)CC1 ZINC001490807424 1210032937 /nfs/dbraw/zinc/03/29/37/1210032937.db2.gz WOULWUDFKLDMDZ-QRVBRYPASA-N 2 0 374.529 0.922 10 30 FCEERP C(#CC[NH+]1CCC2(CC1)COCCO2)C[NH+]1CCC2(CC1)COCCO2 ZINC000880546521 1210547894 /nfs/dbraw/zinc/54/78/94/1210547894.db2.gz OHNDTDGDPUAQDA-UHFFFAOYSA-N 2 0 364.486 0.753 10 30 FCEERP C#CCN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000929933914 1211672750 /nfs/dbraw/zinc/67/27/50/1211672750.db2.gz IXXFTDWYRBDSPY-UHFFFAOYSA-N 2 0 362.518 0.779 10 30 FCEERP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](CC)C2)[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000900307512 1217977212 /nfs/dbraw/zinc/97/72/12/1217977212.db2.gz KYHRLYWAQDXAPT-USTZCAOPSA-N 2 0 362.518 0.705 10 30 FCEERP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000900372171 1217982809 /nfs/dbraw/zinc/98/28/09/1217982809.db2.gz QJXCQAMZGDWFRN-DACLVMHWSA-N 2 0 358.486 0.494 10 30 FCEERP C#CC[N@@H+](CC[C@H]1CCNC1=O)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC001331158883 1266160678 /nfs/dbraw/zinc/16/06/78/1266160678.db2.gz USCJOTXMMNLOEP-IAGOWNOFSA-N 2 0 360.502 0.438 10 30 FCEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)C ZINC001335767745 1259829557 /nfs/dbraw/zinc/82/95/57/1259829557.db2.gz HLDKXWIJBGTRGX-APWZRJJASA-N 2 0 366.506 0.113 10 30 FCEERP C[NH+](C)C1CCN(C(=O)Cc2noc(C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)CC1 ZINC001332494386 1266416682 /nfs/dbraw/zinc/41/66/82/1266416682.db2.gz YJQICZSCQXIVMW-BIWSTMPVSA-N 2 0 372.473 0.771 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)CC1 ZINC001292213698 1262668178 /nfs/dbraw/zinc/66/81/78/1262668178.db2.gz ZHUZWERTSQDTAN-KURKYZTESA-N 2 0 360.502 0.531 10 30 FCEERP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OCC ZINC001479540039 1263245392 /nfs/dbraw/zinc/24/53/92/1263245392.db2.gz JATSKYYCKHZKQT-IXDOHACOSA-N 2 0 366.506 0.226 10 30 FCEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001479562788 1263255781 /nfs/dbraw/zinc/25/57/81/1263255781.db2.gz ZZQUKGYCBGYGSN-IXDOHACOSA-N 2 0 363.506 0.716 10 30 FCEERP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001479673223 1263336612 /nfs/dbraw/zinc/33/66/12/1263336612.db2.gz XOXLATPWCWJBCJ-KURKYZTESA-N 2 0 362.518 0.637 10 30 FCEERP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C[NH2+]CC#CCOC ZINC001316688653 1263421524 /nfs/dbraw/zinc/42/15/24/1263421524.db2.gz QGDHVYFLCFZZHR-GUDVDZBRSA-N 2 0 365.518 0.962 10 30 FCEERP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001484849546 1263490568 /nfs/dbraw/zinc/49/05/68/1263490568.db2.gz XMWFZXVUKRYOAI-DYXWJJEUSA-N 2 0 355.482 0.908 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001571429536 1269933736 /nfs/dbraw/zinc/93/37/36/1269933736.db2.gz GIOSJQICFIJBMF-GBESFXJTSA-N 2 0 361.461 0.974 10 30 FCEERP C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713677051 1287290563 /nfs/dbraw/zinc/29/05/63/1287290563.db2.gz IINVHXVUXVDRQZ-BFYDXBDKSA-N 2 0 350.507 0.846 10 30 FCEERP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713890326 1287306438 /nfs/dbraw/zinc/30/64/38/1287306438.db2.gz GXKLWXHXQURQEZ-IXDOHACOSA-N 2 0 350.507 0.799 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001717252358 1287413537 /nfs/dbraw/zinc/41/35/37/1287413537.db2.gz CDUZDLRLKLSNGT-SCTDSRPQSA-N 2 0 351.491 0.310 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)CC1 ZINC001702724850 1285824585 /nfs/dbraw/zinc/82/45/85/1285824585.db2.gz QHKIGFNBUHGFBV-AEFFLSMTSA-N 2 0 362.518 0.779 10 30 FCEERP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001707221161 1287063790 /nfs/dbraw/zinc/06/37/90/1287063790.db2.gz KYZBEKOLIQTMGQ-BBWFWOEESA-N 2 0 360.502 0.246 10 30 FCEERP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001664807145 1291814771 /nfs/dbraw/zinc/81/47/71/1291814771.db2.gz RYKNGGNGQQZAEN-YESZJQIVSA-N 2 0 350.507 0.799 10 30 FCEERP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]CC#CCOC ZINC001263973665 859263363 /nfs/dbraw/zinc/26/33/63/859263363.db2.gz BDBDUSLWPRLYAL-KURKYZTESA-N 2 0 353.507 0.676 10 30 FCEERP C=CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+](C)C)C1=O ZINC001264000597 859275657 /nfs/dbraw/zinc/27/56/57/859275657.db2.gz XEYNQPORQKMANQ-IKGGRYGDSA-N 2 0 350.507 0.942 10 30 FCEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC001336628575 874014727 /nfs/dbraw/zinc/01/47/27/874014727.db2.gz JFMBEUKONRYNLQ-ZACQAIPSSA-N 2 0 350.507 0.854 10 30 FCEERP C([C@@H]1CO1)[NH+](C[C@@H]1CO1)C[C@@H]1CCC[C@H](C[NH+](C[C@@H]2CO2)C[C@@H]2CO2)C1 ZINC000103844027 222343399 /nfs/dbraw/zinc/34/33/99/222343399.db2.gz HASUCEDGKYJBDC-DNDRQTMDSA-N 2 0 366.502 0.992 10 30 FCEERP CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)=[NH+]C[C@@H]1CCOC1 ZINC000262251329 229300920 /nfs/dbraw/zinc/30/09/20/229300920.db2.gz BWVRUFPFIUFEBM-XYTVBORESA-N 2 0 365.522 0.662 10 30 FCEERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000329072939 488966128 /nfs/dbraw/zinc/96/61/28/488966128.db2.gz ZTEPNUWAHMWOQT-ZACQAIPSSA-N 2 0 354.495 0.662 10 30 FCEERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600723591 491878855 /nfs/dbraw/zinc/87/88/55/491878855.db2.gz CGYBUJMYARPFBE-ZWKOTPCHSA-N 2 0 352.523 0.921 10 30 FCEERP C[NH+]=C(NCCNC(=O)c1cnccn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262427402 526361246 /nfs/dbraw/zinc/36/12/46/526361246.db2.gz DBLUWCWMPCGYQN-HNNXBMFYSA-N 2 0 359.478 0.342 10 30 FCEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000157034108 526370328 /nfs/dbraw/zinc/37/03/28/526370328.db2.gz LMPSCXYAMAVZFB-SJORKVTESA-N 2 0 364.538 0.285 10 30 FCEERP C[NH+]=C(NCC1([NH+]2CCC(OC)CC2)CCCC1)N[C@@H]1CCC(=O)NC1 ZINC000262798795 526412686 /nfs/dbraw/zinc/41/26/86/526412686.db2.gz QKPOTYGBEKGIDH-OAHLLOKOSA-N 2 0 365.522 0.854 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000159370806 526925610 /nfs/dbraw/zinc/92/56/10/526925610.db2.gz KUDBAQLVPWWNTJ-FQEVSTJZSA-N 2 0 355.482 0.867 10 30 FCEERP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261976734 528813945 /nfs/dbraw/zinc/81/39/45/528813945.db2.gz NWOAZYNQDADPGU-CQSZACIVSA-N 2 0 356.536 0.945 10 30 FCEERP COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 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/nfs/dbraw/zinc/18/82/50/1197188250.db2.gz FVEWXOIINBRBBZ-UHFFFAOYSA-N 2 0 370.501 0.730 10 30 FCEERP C#CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000913999032 1197196666 /nfs/dbraw/zinc/19/66/66/1197196666.db2.gz JZNXVELHDIOUJR-IBGZPJMESA-N 2 0 363.550 0.997 10 30 FCEERP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872186 1209570049 /nfs/dbraw/zinc/57/00/49/1209570049.db2.gz JELYFWHWQKTONG-UHFFFAOYSA-N 2 0 362.518 0.732 10 30 FCEERP C=C1[C@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000864292003 1209957465 /nfs/dbraw/zinc/95/74/65/1209957465.db2.gz BKGUWGYDNMFILL-ROUUACIJSA-N 2 0 362.518 0.894 10 30 FCEERP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000873896178 1210269487 /nfs/dbraw/zinc/26/94/87/1210269487.db2.gz PMSRVLIRJMKZEF-UHFFFAOYSA-N 2 0 360.462 0.160 10 30 FCEERP C(#CC[NH2+][C@@H]1CCOC12CCOCC2)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934400796 1211861939 /nfs/dbraw/zinc/86/19/39/1211861939.db2.gz 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674583241 /nfs/dbraw/zinc/58/32/41/674583241.db2.gz YXSVXSAENZPQQW-UHFFFAOYSA-N 2 0 366.535 0.912 10 30 FCEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876980328 672991291 /nfs/dbraw/zinc/99/12/91/672991291.db2.gz FVTDDKQMSJBDIV-KBPBESRZSA-N 2 0 366.897 0.995 10 30 FCEERP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270050847 1187978312 /nfs/dbraw/zinc/97/83/12/1187978312.db2.gz PNSYMFZVQOLZSF-IXDOHACOSA-N 2 0 363.506 0.669 10 30 FCEERP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000088240453 1193761387 /nfs/dbraw/zinc/76/13/87/1193761387.db2.gz YFBYYFMBJNPEBA-CQSZACIVSA-N 2 0 373.509 0.554 10 30 FCEERP C=C1[C@H](C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000908350461 1195739881 /nfs/dbraw/zinc/73/98/81/1195739881.db2.gz ZENYDDRDOBFKCZ-LMMHAMTPSA-N 2 0 358.486 0.114 10 30 FCEERP C=C1[C@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000912049763 1196328856 /nfs/dbraw/zinc/32/88/56/1196328856.db2.gz XBLRZUCDAOHZSJ-OXTHGAJESA-N 2 0 362.518 0.701 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001488943809 1208580582 /nfs/dbraw/zinc/58/05/82/1208580582.db2.gz FSXSKZJRYAEKQU-YESZJQIVSA-N 2 0 362.518 0.873 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC)CC[C@@H]3C2)CC1 ZINC001489208290 1208672064 /nfs/dbraw/zinc/67/20/64/1208672064.db2.gz QDLBYNGUNFNCCV-MSOLQXFVSA-N 2 0 360.502 0.248 10 30 FCEERP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001490596242 1209383093 /nfs/dbraw/zinc/38/30/93/1209383093.db2.gz VLSPKWDIPGFQGN-GVDBMIGSSA-N 2 0 362.518 0.990 10 30 FCEERP C#CC[C@@H](COC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000858167067 1209778249 /nfs/dbraw/zinc/77/82/49/1209778249.db2.gz JKEZLTZUAVXUFC-KRWDZBQOSA-N 2 0 359.474 0.931 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000929781486 1211659990 /nfs/dbraw/zinc/65/99/90/1211659990.db2.gz LGZKQGMOBDVZLH-QGZVFWFLSA-N 2 0 362.518 0.779 10 30 FCEERP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000918907600 1245588027 /nfs/dbraw/zinc/58/80/27/1245588027.db2.gz ZVWPWBGUAHINHH-QGZVFWFLSA-N 2 0 361.534 0.894 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC001329804330 1265854713 /nfs/dbraw/zinc/85/47/13/1265854713.db2.gz KIVOTQJEOCTSRS-UHFFFAOYSA-N 2 0 374.489 0.855 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]2C)CC1 ZINC001282361088 1261427749 /nfs/dbraw/zinc/42/77/49/1261427749.db2.gz RJIPMNZCYDQZRH-BPQIPLTHSA-N 2 0 362.518 0.777 10 30 FCEERP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH2+]CC#CCOC ZINC001479547507 1263248846 /nfs/dbraw/zinc/24/88/46/1263248846.db2.gz UEFFYBHJPPBROW-GUDVDZBRSA-N 2 0 365.518 0.964 10 30 FCEERP C=CCOCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001484024470 1263452948 /nfs/dbraw/zinc/45/29/48/1263452948.db2.gz WWLZVGUALOYJEM-CEXWTWQISA-N 2 0 364.534 0.748 10 30 FCEERP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)CC(C)(C)C2)CC[N@@H+]1C ZINC001316811002 1263492007 /nfs/dbraw/zinc/49/20/07/1263492007.db2.gz MWWOOVGKOUUVOG-BZUAXINKSA-N 2 0 363.506 0.573 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001496144033 1263860677 /nfs/dbraw/zinc/86/06/77/1263860677.db2.gz UCFVGVDDYCKFHD-ZWKOTPCHSA-N 2 0 362.518 0.637 10 30 FCEERP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001565901422 1269512709 /nfs/dbraw/zinc/51/27/09/1269512709.db2.gz ZJCJBRKHEJGDPY-KSZLIROESA-N 2 0 362.518 0.731 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001571429535 1269933475 /nfs/dbraw/zinc/93/34/75/1269933475.db2.gz GIOSJQICFIJBMF-CEXWTWQISA-N 2 0 361.461 0.974 10 30 FCEERP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001707118733 1286456245 /nfs/dbraw/zinc/45/62/45/1286456245.db2.gz DMEGTYNQMNWRIF-GVDBMIGSSA-N 2 0 363.506 0.575 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001721086763 1288289076 /nfs/dbraw/zinc/28/90/76/1288289076.db2.gz XNFBEGDAJRKATR-ZWKOTPCHSA-N 2 0 362.518 0.637 10 30 FCEERP C=CCNC(=O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001734199298 1288645564 /nfs/dbraw/zinc/64/55/64/1288645564.db2.gz TUGMHJLBFKGTMC-SMOSDQRPSA-N 2 0 362.518 0.799 10 30 FCEERP C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254769 1291503464 /nfs/dbraw/zinc/50/34/64/1291503464.db2.gz ZVIBCGFTWALCMP-YTQUADARSA-N 2 0 370.497 0.660 10 30 FCEERP CCO[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC#CCOC ZINC001656471542 1291528358 /nfs/dbraw/zinc/52/83/58/1291528358.db2.gz VCLLWGQKFAYUJY-CEXWTWQISA-N 2 0 363.502 0.431 10 30 FCEERP CCO[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC#CCOC ZINC001656471543 1291528992 /nfs/dbraw/zinc/52/89/92/1291528992.db2.gz VCLLWGQKFAYUJY-GUDVDZBRSA-N 2 0 363.502 0.431 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[N@@H+](C)CC)CC1 ZINC001686183679 1292805890 /nfs/dbraw/zinc/80/58/90/1292805890.db2.gz KIEHZNLQSWQHOW-QRVBRYPASA-N 2 0 374.529 0.922 10 30 FCEERP C#CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC001119749309 847962519 /nfs/dbraw/zinc/96/25/19/847962519.db2.gz SVFIWGHBCFTVIH-OAHLLOKOSA-N 2 0 350.507 0.635 10 30 FCEERP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001263861646 859221838 /nfs/dbraw/zinc/22/18/38/859221838.db2.gz ILBJDIXDNACFEC-QUSNUVHPSA-N 2 0 350.507 0.892 10 30 FCEERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862478 491734222 /nfs/dbraw/zinc/73/42/22/491734222.db2.gz YAWHRHGWXYYNIT-UHFFFAOYSA-N 2 0 363.437 0.265 10 30 FCEERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600723590 491878721 /nfs/dbraw/zinc/87/87/21/491878721.db2.gz CGYBUJMYARPFBE-ROUUACIJSA-N 2 0 352.523 0.921 10 30 FCEERP CC(C)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)N1CC[NH+](C)CC1 ZINC000600727725 491879207 /nfs/dbraw/zinc/87/92/07/491879207.db2.gz RBODPXQVSDLJPW-MSOLQXFVSA-N 2 0 352.523 0.919 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000645212402 492878345 /nfs/dbraw/zinc/87/83/45/492878345.db2.gz HJIQVMLYVPARPO-HNNXBMFYSA-N 2 0 351.495 0.788 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)CC[NH+]1C ZINC000632380308 492987392 /nfs/dbraw/zinc/98/73/92/492987392.db2.gz WTRRRGRRCFUPPJ-FZDBZEDMSA-N 2 0 362.518 0.683 10 30 FCEERP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662818010 493544986 /nfs/dbraw/zinc/54/49/86/493544986.db2.gz ZUFXWFXLGBCUJD-FRQCXROJSA-N 2 0 361.490 0.431 10 30 FCEERP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262776310 526350631 /nfs/dbraw/zinc/35/06/31/526350631.db2.gz JHQZALZIIMDJPG-OAHLLOKOSA-N 2 0 351.495 0.417 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000261837672 526373542 /nfs/dbraw/zinc/37/35/42/526373542.db2.gz OVEAYCUUASDRBF-GVDBMIGSSA-N 2 0 364.538 0.235 10 30 FCEERP C[NH+]=C(NCC1([NH+]2CCC(OC)CC2)CCCC1)N[C@H]1CCC(=O)NC1 ZINC000262798792 526413467 /nfs/dbraw/zinc/41/34/67/526413467.db2.gz QKPOTYGBEKGIDH-HNNXBMFYSA-N 2 0 365.522 0.854 10 30 FCEERP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261715993 528803670 /nfs/dbraw/zinc/80/36/70/528803670.db2.gz HTTAHMWCMTUVNN-SFHVURJKSA-N 2 0 365.522 0.665 10 30 FCEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261791242 528809533 /nfs/dbraw/zinc/80/95/33/528809533.db2.gz QJZGBKWDJDPNBU-KSSFIOAISA-N 2 0 364.494 0.356 10 30 FCEERP CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158441059 528810829 /nfs/dbraw/zinc/81/08/29/528810829.db2.gz AUNRXCNDUUXNCO-HRCADAONSA-N 2 0 373.567 0.552 10 30 FCEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268038 529073041 /nfs/dbraw/zinc/07/30/41/529073041.db2.gz HTJVVXQQGZENLV-CABCVRRESA-N 2 0 374.555 0.036 10 30 FCEERP C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000591739427 546939097 /nfs/dbraw/zinc/93/90/97/546939097.db2.gz SPURXUYGVMIBFU-MRXNPFEDSA-N 2 0 364.515 0.805 10 30 FCEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000907400571 666128774 /nfs/dbraw/zinc/12/87/74/666128774.db2.gz PILOQAGYEPLQTL-UHFFFAOYSA-N 2 0 368.503 0.973 10 30 FCEERP C[NH+](C)C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@H]1C[NH+](C)C ZINC000866012623 672259984 /nfs/dbraw/zinc/25/99/84/672259984.db2.gz LDTKEMHJVCFKAM-HUUCEWRRSA-N 2 0 365.503 0.381 10 30 FCEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876980331 672991306 /nfs/dbraw/zinc/99/13/06/672991306.db2.gz FVTDDKQMSJBDIV-ZIAGYGMSSA-N 2 0 366.897 0.995 10 30 FCEERP C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001772515087 1168426648 /nfs/dbraw/zinc/42/66/48/1168426648.db2.gz WVYAAKMATHUTSN-OKZBNKHCSA-N 2 0 362.518 0.684 10 30 FCEERP C=CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481977697 1187561443 /nfs/dbraw/zinc/56/14/43/1187561443.db2.gz OSSCBZSTOJFGPV-IXDOHACOSA-N 2 0 350.507 0.847 10 30 FCEERP C=CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481977696 1187561845 /nfs/dbraw/zinc/56/18/45/1187561845.db2.gz OSSCBZSTOJFGPV-BRWVUGGUSA-N 2 0 350.507 0.847 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000910887761 1195858544 /nfs/dbraw/zinc/85/85/44/1195858544.db2.gz UHSIZXARBCXXBD-SFHVURJKSA-N 2 0 374.529 0.733 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000911236909 1195919977 /nfs/dbraw/zinc/91/99/77/1195919977.db2.gz VZHJAQFQLWWXLT-MRXNPFEDSA-N 2 0 364.490 0.028 10 30 FCEERP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCOC4(C[NH2+]C4)C3)CC2)c1 ZINC000593719827 1196815341 /nfs/dbraw/zinc/81/53/41/1196815341.db2.gz HTLXMJNXOPCKSL-UHFFFAOYSA-N 2 0 369.469 0.906 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@@H+](C)CC)C3)CC1 ZINC001490713961 1209411404 /nfs/dbraw/zinc/41/14/04/1209411404.db2.gz QPOQQFHEWKBIQB-QYZOEREBSA-N 2 0 374.529 0.922 10 30 FCEERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852867203 1209569345 /nfs/dbraw/zinc/56/93/45/1209569345.db2.gz RCNLGZKQFLKSAW-UHFFFAOYSA-N 2 0 356.470 0.597 10 30 FCEERP C=C1[C@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000864291999 1209957450 /nfs/dbraw/zinc/95/74/50/1209957450.db2.gz BKGUWGYDNMFILL-HDICACEKSA-N 2 0 362.518 0.894 10 30 FCEERP C#CCN(C(=O)C(=O)NCC1CC[NH+](CCC)CC1)C1CC[NH+](C)CC1 ZINC000929647995 1211653079 /nfs/dbraw/zinc/65/30/79/1211653079.db2.gz YDJJAINRPURESQ-UHFFFAOYSA-N 2 0 362.518 0.781 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000930006000 1211682209 /nfs/dbraw/zinc/68/22/09/1211682209.db2.gz AADMQSSHISGJFI-GOSISDBHSA-N 2 0 373.501 0.957 10 30 FCEERP C#CCN(C(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1)C1CC[NH+](C)CC1 ZINC000930011155 1211682739 /nfs/dbraw/zinc/68/27/39/1211682739.db2.gz XURIGDUHQNKTIC-UHFFFAOYSA-N 2 0 360.502 0.699 10 30 FCEERP C(#CC[NH2+][C@H]1CCOC12CCOCC2)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000934400799 1211862163 /nfs/dbraw/zinc/86/21/63/1211862163.db2.gz COEXYCNZDOQTJY-ROUUACIJSA-N 2 0 364.486 0.845 10 30 FCEERP C=CC[C@@H]1CC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]2CC=C)CC1 ZINC000934470828 1211862819 /nfs/dbraw/zinc/86/28/19/1211862819.db2.gz FWVFRJJDZUIAOW-QZTJIDSGSA-N 2 0 360.502 0.958 10 30 FCEERP C#CCN(C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC001120404247 1222078795 /nfs/dbraw/zinc/07/87/95/1222078795.db2.gz XNZRSSBYEKNXDY-SCTDSRPQSA-N 2 0 374.529 0.731 10 30 FCEERP 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QGUKQYCBEZEEMP-OKILXGFUSA-N 2 0 350.444 0.741 10 30 FCEERP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481093573 1182281850 /nfs/dbraw/zinc/28/18/50/1182281850.db2.gz FLHWKHDKKXHPSV-BRWVUGGUSA-N 2 0 363.506 0.527 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000550784669 1193792015 /nfs/dbraw/zinc/79/20/15/1193792015.db2.gz XEKNDQKGKIMBMC-UHFFFAOYSA-N 2 0 366.506 0.372 10 30 FCEERP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001670860155 1193829297 /nfs/dbraw/zinc/82/92/97/1193829297.db2.gz WUSDFAOWPSTZEK-MSOLQXFVSA-N 2 0 370.497 0.872 10 30 FCEERP CN1CC[N@H+](C)CC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000906243764 1195618155 /nfs/dbraw/zinc/61/81/55/1195618155.db2.gz ASVWHKJAOPNODB-UHFFFAOYSA-N 2 0 357.502 0.942 10 30 FCEERP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001489043703 1208602691 /nfs/dbraw/zinc/60/26/91/1208602691.db2.gz MMPVHUUZCLDGGX-CABCVRRESA-N 2 0 367.494 0.167 10 30 FCEERP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001489204818 1208667808 /nfs/dbraw/zinc/66/78/08/1208667808.db2.gz CWBLLCFDLFDMNP-BBWFWOEESA-N 2 0 350.507 0.799 10 30 FCEERP C#CCN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000929499992 1211642586 /nfs/dbraw/zinc/64/25/86/1211642586.db2.gz VWFHPTMLHNCLFB-UHFFFAOYSA-N 2 0 370.497 0.920 10 30 FCEERP C=C1[C@H](C(=O)NCC2CC[NH+](C)CC2)[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000900486105 1217998104 /nfs/dbraw/zinc/99/81/04/1217998104.db2.gz XZCUBNFOAIKBLY-HDICACEKSA-N 2 0 362.518 0.705 10 30 FCEERP Cc1c(C[C@@H](C[NH3+])CN2CCN(c3ccc(C#N)nc3)CC2)cnn1C ZINC000903937238 1218569486 /nfs/dbraw/zinc/56/94/86/1218569486.db2.gz FZSFHJCMNWZBGV-INIZCTEOSA-N 2 0 353.474 0.935 10 30 FCEERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001491456251 1220139556 /nfs/dbraw/zinc/13/95/56/1220139556.db2.gz FLPCPPCWZUPUAF-YQVWRLOYSA-N 2 0 370.497 0.589 10 30 FCEERP C#CCN(C(=O)C(=O)NCc1ccn2ccnc2c1)C1CC[NH+](C)CC1 ZINC001119806643 1221975886 /nfs/dbraw/zinc/97/58/86/1221975886.db2.gz TVKAIMYSUSGQLO-UHFFFAOYSA-N 2 0 353.426 0.507 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001120973669 1222135650 /nfs/dbraw/zinc/13/56/50/1222135650.db2.gz DGDFESQNVQMMQX-UHFFFAOYSA-N 2 0 352.398 0.420 10 30 FCEERP C#C[C@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000838069212 1222668936 /nfs/dbraw/zinc/66/89/36/1222668936.db2.gz OOEQDCVIYMZUBY-KRWDZBQOSA-N 2 0 357.458 0.637 10 30 FCEERP C#CC[N@@H+](CC[C@@H]1CCNC1=O)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC001331158885 1266160612 /nfs/dbraw/zinc/16/06/12/1266160612.db2.gz USCJOTXMMNLOEP-IRXDYDNUSA-N 2 0 360.502 0.438 10 30 FCEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001479672775 1263335377 /nfs/dbraw/zinc/33/53/77/1263335377.db2.gz OMTOLKSYMHXESL-ZACQAIPSSA-N 2 0 360.502 0.553 10 30 FCEERP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 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1265359922 /nfs/dbraw/zinc/35/99/22/1265359922.db2.gz JBZPIERBSPLLGN-FZDBZEDMSA-N 2 0 358.486 0.209 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001334762182 1267165181 /nfs/dbraw/zinc/16/51/81/1267165181.db2.gz GUKSFFAKWWIEJF-BQFCYCMXSA-N 2 0 362.518 0.942 10 30 FCEERP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001565496507 1269477570 /nfs/dbraw/zinc/47/75/70/1269477570.db2.gz KJPYNYHYXBIQKO-RTBURBONSA-N 2 0 358.486 0.734 10 30 FCEERP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001566044962 1269576870 /nfs/dbraw/zinc/57/68/70/1269576870.db2.gz RWXNRWLPOBJAIM-BBWFWOEESA-N 2 0 362.518 0.942 10 30 FCEERP C[C@H]([NH2+]CC(=O)NCC#N)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001570030899 1269831093 /nfs/dbraw/zinc/83/10/93/1269831093.db2.gz DNUNCTPMNZIRQR-HDMKZQKVSA-N 2 0 371.485 0.933 10 30 FCEERP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001713961371 1287308544 /nfs/dbraw/zinc/30/85/44/1287308544.db2.gz XLIXGQQRYRGQKT-TVFCKZIOSA-N 2 0 369.469 0.208 10 30 FCEERP CCN(CCC#N)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001717640957 1287431559 /nfs/dbraw/zinc/43/15/59/1287431559.db2.gz QAALWFJLUOYURC-QBPKDAKJSA-N 2 0 363.506 0.573 10 30 FCEERP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001707225081 1287071946 /nfs/dbraw/zinc/07/19/46/1287071946.db2.gz CYSHDKSIBRGJIG-FGTMMUONSA-N 2 0 360.502 0.391 10 30 FCEERP C=CCNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001723718734 1288427558 /nfs/dbraw/zinc/42/75/58/1288427558.db2.gz LQJQTKPZBWJCIO-SQGPQFPESA-N 2 0 362.518 0.943 10 30 FCEERP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC001700791903 1289607557 /nfs/dbraw/zinc/60/75/57/1289607557.db2.gz MOKFHBBEILRELA-UWWQBHOKSA-N 2 0 360.458 0.496 10 30 FCEERP C=CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001656889966 1291571315 /nfs/dbraw/zinc/57/13/15/1291571315.db2.gz SIMXUOHXPOSDHJ-BRWVUGGUSA-N 2 0 350.507 0.990 10 30 FCEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1OCC ZINC001263975848 859263880 /nfs/dbraw/zinc/26/38/80/859263880.db2.gz SRTNDQPZNINABE-KZNAEPCWSA-N 2 0 353.507 0.984 10 30 FCEERP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC#CCOC ZINC001264533606 859376180 /nfs/dbraw/zinc/37/61/80/859376180.db2.gz OAZMQKSZUNXUGK-IAGOWNOFSA-N 2 0 351.491 0.431 10 30 FCEERP C=CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001271535537 859965506 /nfs/dbraw/zinc/96/55/06/859965506.db2.gz ZKEBDSUSLKFYOT-IXDOHACOSA-N 2 0 350.507 0.990 10 30 FCEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000419573432 246207679 /nfs/dbraw/zinc/20/76/79/246207679.db2.gz RWAPQHRLKNWSGD-YESZJQIVSA-N 2 0 350.507 0.915 10 30 FCEERP C(#CC[N@H+]1CC[C@H](Cn2ccnn2)C1)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139339 493411200 /nfs/dbraw/zinc/41/12/00/493411200.db2.gz HRHBPGYEABKALE-ROUUACIJSA-N 2 0 354.462 0.217 10 30 FCEERP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662818011 493545067 /nfs/dbraw/zinc/54/50/67/493545067.db2.gz ZUFXWFXLGBCUJD-GPMSIDNRSA-N 2 0 361.490 0.431 10 30 FCEERP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262805515 526350139 /nfs/dbraw/zinc/35/01/39/526350139.db2.gz SPZYUUYYGGXXIQ-UHFFFAOYSA-N 2 0 363.506 0.513 10 30 FCEERP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261715990 528803626 /nfs/dbraw/zinc/80/36/26/528803626.db2.gz HTTAHMWCMTUVNN-GOSISDBHSA-N 2 0 365.522 0.665 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)CC1 ZINC000930009731 673992587 /nfs/dbraw/zinc/99/25/87/673992587.db2.gz IQKNIARZZCXPFN-INIZCTEOSA-N 2 0 354.495 0.226 10 30 FCEERP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593772632 1196819923 /nfs/dbraw/zinc/81/99/23/1196819923.db2.gz VVKDIRTWECLECH-UHFFFAOYSA-N 2 0 371.485 0.694 10 30 FCEERP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850820515 1209490903 /nfs/dbraw/zinc/49/09/03/1209490903.db2.gz NWPJRVFJKCGDPM-QGZVFWFLSA-N 2 0 358.442 0.357 10 30 FCEERP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000852873487 1209571226 /nfs/dbraw/zinc/57/12/26/1209571226.db2.gz WKBORPVKPRHEQM-UHFFFAOYSA-N 3 0 355.486 0.713 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001490816633 1211251301 /nfs/dbraw/zinc/25/13/01/1211251301.db2.gz GZTLOXOLFUDRRC-QRVBRYPASA-N 2 0 374.529 0.920 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC[NH+](C)CC1 ZINC000929791117 1211661069 /nfs/dbraw/zinc/66/10/69/1211661069.db2.gz CECYZFGBYUVTEV-KRWDZBQOSA-N 2 0 362.518 0.779 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000930006198 1211681689 /nfs/dbraw/zinc/68/16/89/1211681689.db2.gz CRHAUDIZSPOLTP-KRWDZBQOSA-N 2 0 364.490 0.123 10 30 FCEERP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000900830840 1218044611 /nfs/dbraw/zinc/04/46/11/1218044611.db2.gz OKNRWNBDKPCXFE-GMYDAAELSA-N 2 0 362.518 0.986 10 30 FCEERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001491456252 1220139430 /nfs/dbraw/zinc/13/94/30/1220139430.db2.gz FLPCPPCWZUPUAF-ZHALLVOQSA-N 2 0 370.497 0.589 10 30 FCEERP C#CCN(C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001120404246 1222079093 /nfs/dbraw/zinc/07/90/93/1222079093.db2.gz XNZRSSBYEKNXDY-LNLFQRSKSA-N 2 0 374.529 0.731 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000921705333 1245648839 /nfs/dbraw/zinc/64/88/39/1245648839.db2.gz LLIMLRYOIGFTES-UHFFFAOYSA-N 2 0 359.474 0.919 10 30 FCEERP C=CCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001329439649 1265757682 /nfs/dbraw/zinc/75/76/82/1265757682.db2.gz APVACVBLGRNWQL-SOUVJXGZSA-N 2 0 367.494 0.165 10 30 FCEERP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001264503372 1260375545 /nfs/dbraw/zinc/37/55/45/1260375545.db2.gz GWUGAAURRJZIMU-ZWKOTPCHSA-N 2 0 361.490 0.294 10 30 FCEERP C[NH+](C)C1CCN(C(=O)Cc2noc(C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)CC1 ZINC001332494405 1266416832 /nfs/dbraw/zinc/41/68/32/1266416832.db2.gz YJQICZSCQXIVMW-SHYRYGCCSA-N 2 0 372.473 0.771 10 30 FCEERP CCN(CCC#N)C(=O)CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001282714410 1261594673 /nfs/dbraw/zinc/59/46/73/1261594673.db2.gz IACPSUWKJSZPBA-BFYDXBDKSA-N 2 0 363.506 0.525 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)CC1 ZINC001345416199 1261700801 /nfs/dbraw/zinc/70/08/01/1261700801.db2.gz OJQXPUVIRJIPBQ-AEFFLSMTSA-N 2 0 362.518 0.777 10 30 FCEERP COCC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001316674350 1263416417 /nfs/dbraw/zinc/41/64/17/1263416417.db2.gz VTAUXPDLEPGUGC-ZWKOTPCHSA-N 2 0 361.490 0.296 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@@H](O)COC)CC[C@@H]3C2)CC1 ZINC001316759929 1263465455 /nfs/dbraw/zinc/46/54/55/1263465455.db2.gz KIKZMLAKMRQRKE-CEXWTWQISA-N 2 0 363.502 0.119 10 30 FCEERP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001317065793 1263500473 /nfs/dbraw/zinc/50/04/73/1263500473.db2.gz XBBVAWYWTGAGAE-OTWHNJEPSA-N 2 0 370.497 0.825 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317631472 1263518317 /nfs/dbraw/zinc/51/83/17/1263518317.db2.gz PIVCJVLWQQSYKA-UHOSZYNNSA-N 2 0 370.497 0.518 10 30 FCEERP O=C1CC2(CN1)CC[NH+](CC#CC[NH+]1CCC3(CNC(=O)C3)CC1)CC2 ZINC001321743599 1264050610 /nfs/dbraw/zinc/05/06/10/1264050610.db2.gz QPEGKCHSBMIBHO-UHFFFAOYSA-N 2 0 358.486 0.194 10 30 FCEERP C#CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568385829 1269729826 /nfs/dbraw/zinc/72/98/26/1269729826.db2.gz OHNVWFQQFBHPSF-FGTMMUONSA-N 2 0 362.518 0.827 10 30 FCEERP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713677056 1287290546 /nfs/dbraw/zinc/29/05/46/1287290546.db2.gz IINVHXVUXVDRQZ-ZMSDIMECSA-N 2 0 350.507 0.846 10 30 FCEERP C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001713764198 1287296520 /nfs/dbraw/zinc/29/65/20/1287296520.db2.gz SYKJXFGWHCQVJQ-JFIYKMOQSA-N 2 0 362.518 0.635 10 30 FCEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001716805928 1287389811 /nfs/dbraw/zinc/38/98/11/1287389811.db2.gz GTXMPGQATOVCNF-NXHRZFHOSA-N 2 0 360.502 0.484 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@@H](C)O)[C@H](OCC)C2)CC1 ZINC001707153811 1286477711 /nfs/dbraw/zinc/47/77/11/1286477711.db2.gz WMIISORDNAZREL-KBAYOESNSA-N 2 0 351.491 0.166 10 30 FCEERP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC001700791902 1289608620 /nfs/dbraw/zinc/60/86/20/1289608620.db2.gz MOKFHBBEILRELA-QGPMSJSTSA-N 2 0 360.458 0.496 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001758780433 1290840382 /nfs/dbraw/zinc/84/03/82/1290840382.db2.gz DQUBLYXJZOFRQK-RYQLBKOJSA-N 2 0 362.518 0.683 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC=C)C2)CC1 ZINC001656386072 1291517535 /nfs/dbraw/zinc/51/75/35/1291517535.db2.gz IYPJBXZSCQIVMK-FUHWJXTLSA-N 2 0 360.502 0.508 10 30 FCEERP C[NH+](C)CC#CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001687889433 1293026406 /nfs/dbraw/zinc/02/64/06/1293026406.db2.gz XTCIAZFEJWSBHA-RTBURBONSA-N 2 0 358.486 0.734 10 30 FCEERP C=CC[C@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC001262045759 858765824 /nfs/dbraw/zinc/76/58/24/858765824.db2.gz AKHNMRPZEOWPFN-PKOBYXMFSA-N 2 0 350.507 0.598 10 30 FCEERP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001263924911 859243331 /nfs/dbraw/zinc/24/33/31/859243331.db2.gz MXWFDOCHDUEPLT-DLBZAZTESA-N 2 0 351.491 0.622 10 30 FCEERP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]CC#CCOC ZINC001263973666 859263192 /nfs/dbraw/zinc/26/31/92/859263192.db2.gz BDBDUSLWPRLYAL-KZNAEPCWSA-N 2 0 353.507 0.676 10 30 FCEERP CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)=[NH+]C[C@@H]1CCCO1 ZINC000262298855 229302405 /nfs/dbraw/zinc/30/24/05/229302405.db2.gz NFMMSLYRFCCFFK-HMQMGEFJSA-N 2 0 365.522 0.804 10 30 FCEERP C#CCNC(=O)CC[NH+]1CCCC2(CCC[N@@H+](CCC(=O)NCC#C)C2)C1 ZINC000293691042 489185623 /nfs/dbraw/zinc/18/56/23/489185623.db2.gz WILKPIGFXMFVMS-UHFFFAOYSA-N 2 0 372.513 0.443 10 30 FCEERP C[C@@H]1CN(CC#CCN2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456724 489207331 /nfs/dbraw/zinc/20/73/31/489207331.db2.gz CQVVRJGHCNPVGM-YRPNKDGESA-N 2 0 364.486 0.749 10 30 FCEERP OC[C@H]1CN(CC#CCN2CCC(F)(F)[C@@H](CO)C2)CCC1(F)F ZINC000463229284 490006441 /nfs/dbraw/zinc/00/64/41/490006441.db2.gz CDLINSGRUIZCNA-ZIAGYGMSSA-N 2 0 352.372 0.889 10 30 FCEERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600723582 491878701 /nfs/dbraw/zinc/87/87/01/491878701.db2.gz CGYBUJMYARPFBE-MSOLQXFVSA-N 2 0 352.523 0.921 10 30 FCEERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319141 492159556 /nfs/dbraw/zinc/15/95/56/492159556.db2.gz KMKJPXUFMGDODK-DLBZAZTESA-N 2 0 364.490 0.296 10 30 FCEERP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662818013 493544857 /nfs/dbraw/zinc/54/48/57/493544857.db2.gz ZUFXWFXLGBCUJD-TXPKVOOTSA-N 2 0 361.490 0.431 10 30 FCEERP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261749581 526370228 /nfs/dbraw/zinc/37/02/28/526370228.db2.gz LQXMVAFFHBLLBE-YJBOKZPZSA-N 2 0 351.495 0.275 10 30 FCEERP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000262972585 526413053 /nfs/dbraw/zinc/41/30/53/526413053.db2.gz SBZQCQNWIYCRRN-LSDHHAIUSA-N 2 0 359.474 0.917 10 30 FCEERP CC(C)[NH+](CC#CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C)C[C@@H]1CCC(=O)N1 ZINC000412071782 528857327 /nfs/dbraw/zinc/85/73/27/528857327.db2.gz HWSXQVIRDPBXKE-ROUUACIJSA-N 2 0 362.518 0.968 10 30 FCEERP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419953941 535861336 /nfs/dbraw/zinc/86/13/36/535861336.db2.gz QGWJEOHWKBPVQX-SFHVURJKSA-N 2 0 371.485 0.707 10 30 FCEERP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000303975179 674573996 /nfs/dbraw/zinc/57/39/96/674573996.db2.gz ISKNTZHGOLFTAD-OAHLLOKOSA-N 2 0 355.483 0.622 10 30 FCEERP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001481231733 1182926183 /nfs/dbraw/zinc/92/61/83/1182926183.db2.gz NDBNKTOYBAGSHR-SOUVJXGZSA-N 2 0 367.494 0.165 10 30 FCEERP C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268744781 1187768047 /nfs/dbraw/zinc/76/80/47/1187768047.db2.gz CAVQILWGYSZNIL-QRQLOZEOSA-N 2 0 370.497 0.518 10 30 FCEERP Cc1ccc(C(=O)NCC#CC[NH+](C)C)cc1C(=O)NCC#CC[NH+](C)C ZINC000913523129 1196448085 /nfs/dbraw/zinc/44/80/85/1196448085.db2.gz MZSBWALRUVFKAJ-UHFFFAOYSA-N 2 0 368.481 0.585 10 30 FCEERP C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000873983390 1210277664 /nfs/dbraw/zinc/27/76/64/1210277664.db2.gz ZYBSJBWUDDGWGG-IAGOWNOFSA-N 2 0 356.470 0.804 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000929143317 1211618651 /nfs/dbraw/zinc/61/86/51/1211618651.db2.gz MHVBEDXFIDVRIW-LJQANCHMSA-N 2 0 370.497 0.962 10 30 FCEERP C=C1[C@H](C(=O)NCC2CC[NH+](C)CC2)[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000900486107 1217997523 /nfs/dbraw/zinc/99/75/23/1217997523.db2.gz XZCUBNFOAIKBLY-ROUUACIJSA-N 2 0 362.518 0.705 10 30 FCEERP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001280387502 1261061599 /nfs/dbraw/zinc/06/15/99/1261061599.db2.gz BUDZSELNYOYOKW-DLBZAZTESA-N 2 0 360.502 0.391 10 30 FCEERP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001479494001 1263221416 /nfs/dbraw/zinc/22/14/16/1263221416.db2.gz FDVQDSMOGCNAAB-QFBILLFUSA-N 2 0 370.497 0.986 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001316666258 1263408960 /nfs/dbraw/zinc/40/89/60/1263408960.db2.gz BYFVNZQMBTWNQH-OKZBNKHCSA-N 2 0 362.518 0.875 10 30 FCEERP COCC#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1 ZINC001316672287 1263415453 /nfs/dbraw/zinc/41/54/53/1263415453.db2.gz QQBDEDSRMGBQMA-ZWKOTPCHSA-N 2 0 371.485 0.050 10 30 FCEERP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480110255 1263423364 /nfs/dbraw/zinc/42/33/64/1263423364.db2.gz HVSFXAKUCQRKEW-IXDOHACOSA-N 2 0 350.507 0.942 10 30 FCEERP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317631470 1263518550 /nfs/dbraw/zinc/51/85/50/1263518550.db2.gz PIVCJVLWQQSYKA-QRQLOZEOSA-N 2 0 370.497 0.518 10 30 FCEERP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001500677496 1264080276 /nfs/dbraw/zinc/08/02/76/1264080276.db2.gz KKYKPJQZPLXPNS-ZTNFWEORSA-N 2 0 356.470 0.951 10 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C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001705269095 1286365472 /nfs/dbraw/zinc/36/54/72/1286365472.db2.gz PUVYDCLEOPJQGB-NVXWUHKLSA-N 2 0 360.502 0.437 10 30 FCEERP C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001656542289 1291543440 /nfs/dbraw/zinc/54/34/40/1291543440.db2.gz CRWDWWDQPLCDIJ-PVAVHDDUSA-N 2 0 361.490 0.185 10 30 FCEERP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001674375930 1292139147 /nfs/dbraw/zinc/13/91/47/1292139147.db2.gz WXDKJAWVQUMEQX-YESZJQIVSA-N 2 0 350.507 0.990 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C)CC1 ZINC001685265441 1292475566 /nfs/dbraw/zinc/47/55/66/1292475566.db2.gz IRKVYSYRQGKVCD-AEFFLSMTSA-N 2 0 362.518 0.779 10 30 FCEERP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001264564497 859386386 /nfs/dbraw/zinc/38/63/86/859386386.db2.gz ULGDCRQXZODDTE-ZACQAIPSSA-N 2 0 350.507 0.847 10 30 FCEERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000570922239 491273850 /nfs/dbraw/zinc/27/38/50/491273850.db2.gz IWDXDXILPFTTPN-RTBURBONSA-N 2 0 371.485 0.252 10 30 FCEERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000420098082 489911062 /nfs/dbraw/zinc/91/10/62/489911062.db2.gz IJQXNAUAMRVEHO-QAPCUYQASA-N 2 0 371.485 0.563 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](CCC)CC2)CC1 ZINC000477750817 489989060 /nfs/dbraw/zinc/98/90/60/489989060.db2.gz VTRCTXBYTGUWHB-UHFFFAOYSA-N 2 0 350.507 0.991 10 30 FCEERP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261772346 526356006 /nfs/dbraw/zinc/35/60/06/526356006.db2.gz DVQOKCFVTUPQSE-UHFFFAOYSA-N 2 0 366.554 0.531 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261804920 526372736 /nfs/dbraw/zinc/37/27/36/526372736.db2.gz SCGJIXPAECBKLC-HUUCEWRRSA-N 2 0 353.511 0.471 10 30 FCEERP CC[NH+]1CCN(CCNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)CC1 ZINC000261979705 529145124 /nfs/dbraw/zinc/14/51/24/529145124.db2.gz REUIAKSERULRBQ-UHFFFAOYSA-N 2 0 366.554 0.531 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000911236385 666326308 /nfs/dbraw/zinc/32/63/08/666326308.db2.gz QFTZAQIJSLNVNX-CHWSQXEVSA-N 2 0 362.396 0.491 10 30 FCEERP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000863132466 672101887 /nfs/dbraw/zinc/10/18/87/672101887.db2.gz DCDGJQRKOLDBSV-MRXNPFEDSA-N 2 0 350.488 0.939 10 30 FCEERP C[NH+](C)C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H]1C[NH+](C)C ZINC000866011568 672259978 /nfs/dbraw/zinc/25/99/78/672259978.db2.gz HSKRVLCGILIQQH-ZIAGYGMSSA-N 2 0 365.503 0.381 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000897674623 1192840787 /nfs/dbraw/zinc/84/07/87/1192840787.db2.gz BOLYHHJPBUETOU-MRXNPFEDSA-N 2 0 371.485 0.885 10 30 FCEERP CN(C)C(=O)C1CC[NH+](CC#CC[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000551382625 1193853366 /nfs/dbraw/zinc/85/33/66/1193853366.db2.gz LOAJMQKPSBOBEB-UHFFFAOYSA-N 2 0 362.518 0.590 10 30 FCEERP C#CCN(C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000910885247 1195857131 /nfs/dbraw/zinc/85/71/31/1195857131.db2.gz JPQSHBQTWBYFEM-KRWDZBQOSA-N 2 0 362.518 0.875 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC[NH+](C)CC1 ZINC000910887074 1195857906 /nfs/dbraw/zinc/85/79/06/1195857906.db2.gz YVUNKEQXGJFFLN-HXUWFJFHSA-N 2 0 360.502 0.487 10 30 FCEERP O=C(C#CC1CC[NH2+]CC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000852881293 1209573087 /nfs/dbraw/zinc/57/30/87/1209573087.db2.gz UKZIIJCYDHHQCY-UHFFFAOYSA-N 2 0 374.529 0.830 10 30 FCEERP C#CCN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000929108735 1211617260 /nfs/dbraw/zinc/61/72/60/1211617260.db2.gz FNXHBMIFLOGYQT-UHFFFAOYSA-N 2 0 362.518 0.968 10 30 FCEERP C=C1[C@H](C(=O)NC2CC[NH+](CC)CC2)[C@H]1C(=O)NC1CC[NH+](CC)CC1 ZINC000900010410 1217953839 /nfs/dbraw/zinc/95/38/39/1217953839.db2.gz YKIFAFRBMAJMRJ-ROUUACIJSA-N 2 0 362.518 0.990 10 30 FCEERP C#CCN(C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001120404245 1222079191 /nfs/dbraw/zinc/07/91/91/1222079191.db2.gz XNZRSSBYEKNXDY-JENIJYKNSA-N 2 0 374.529 0.731 10 30 FCEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001330487313 1266035986 /nfs/dbraw/zinc/03/59/86/1266035986.db2.gz WASSGXNCOKUQBL-BRWVUGGUSA-N 2 0 362.518 0.942 10 30 FCEERP CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001263944328 1260358069 /nfs/dbraw/zinc/35/80/69/1260358069.db2.gz ZICCFHRYJIDEGI-RCCFBDPRSA-N 2 0 361.490 0.294 10 30 FCEERP C=CCN(CC=C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265977359 1260422336 /nfs/dbraw/zinc/42/23/36/1260422336.db2.gz YOEPUOKEIPKRFG-KZNAEPCWSA-N 2 0 362.518 0.965 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)CC1 ZINC001281798057 1261201154 /nfs/dbraw/zinc/20/11/54/1261201154.db2.gz SVELJDBNSUKTPZ-SJLPKXTDSA-N 2 0 362.518 0.637 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C3)CC1 ZINC001291913451 1262609993 /nfs/dbraw/zinc/60/99/93/1262609993.db2.gz LFVXYBNGTSNAJW-HCXYKTFWSA-N 2 0 374.529 0.920 10 30 FCEERP C#CCNC(=O)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001506178068 1264300172 /nfs/dbraw/zinc/30/01/72/1264300172.db2.gz DJRPGLLCWBAOEX-ZACQAIPSSA-N 2 0 350.507 0.539 10 30 FCEERP C=C1[C@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001334183217 1266870937 /nfs/dbraw/zinc/87/09/37/1266870937.db2.gz VMBWFUQVJMEUPF-CKYTUPMTSA-N 2 0 358.486 0.114 10 30 FCEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001716805861 1287389928 /nfs/dbraw/zinc/38/99/28/1287389928.db2.gz DKFGRPIZMRWBIU-KBAYOESNSA-N 2 0 351.491 0.260 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@H](C)O)[C@H](OCC)C2)CC1 ZINC001707153809 1286477212 /nfs/dbraw/zinc/47/72/12/1286477212.db2.gz WMIISORDNAZREL-CGTJXYLNSA-N 2 0 351.491 0.166 10 30 FCEERP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001707160568 1286483472 /nfs/dbraw/zinc/48/34/72/1286483472.db2.gz OCYHMAMAZQOMGN-NUJGCVRESA-N 2 0 362.518 0.825 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001732274677 1288580119 /nfs/dbraw/zinc/58/01/19/1288580119.db2.gz LAZBDLAITISUNA-YESZJQIVSA-N 2 0 363.506 0.575 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)CC1 ZINC001702255102 1289918571 /nfs/dbraw/zinc/91/85/71/1289918571.db2.gz QMUBTWSRPAJIDY-SJLPKXTDSA-N 2 0 362.518 0.637 10 30 FCEERP C#CCNC(=O)[C@@H](C)N1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254766 1291502912 /nfs/dbraw/zinc/50/29/12/1291502912.db2.gz ZVIBCGFTWALCMP-NZSAHSFTSA-N 2 0 370.497 0.660 10 30 FCEERP C=C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119018456 847679276 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IJQXNAUAMRVEHO-YJBOKZPZSA-N 2 0 371.485 0.563 10 30 FCEERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000420108913 489915626 /nfs/dbraw/zinc/91/56/26/489915626.db2.gz CVGDQQJJIJDMQS-YJBOKZPZSA-N 2 0 371.485 0.563 10 30 FCEERP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)ccn2)CC1 ZINC000600715021 491878400 /nfs/dbraw/zinc/87/84/00/491878400.db2.gz DFGSTCCZLZVOMJ-GOSISDBHSA-N 2 0 373.501 0.994 10 30 FCEERP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600719083 491878738 /nfs/dbraw/zinc/87/87/38/491878738.db2.gz COENMSVEYKPRME-SFHVURJKSA-N 2 0 373.501 0.994 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000668836450 493418035 /nfs/dbraw/zinc/41/80/35/493418035.db2.gz ZAHPEFDJGHUEAO-KRWDZBQOSA-N 2 0 366.506 0.322 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000261837667 526373217 /nfs/dbraw/zinc/37/32/17/526373217.db2.gz OVEAYCUUASDRBF-BRWVUGGUSA-N 2 0 364.538 0.235 10 30 FCEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261791237 528809988 /nfs/dbraw/zinc/80/99/88/528809988.db2.gz QJZGBKWDJDPNBU-KBXCAEBGSA-N 2 0 364.494 0.356 10 30 FCEERP CC[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261770667 528813471 /nfs/dbraw/zinc/81/34/71/528813471.db2.gz OAZQIOURBSCUNO-LPHOPBHVSA-N 2 0 364.538 0.190 10 30 FCEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268049 529072932 /nfs/dbraw/zinc/07/29/32/529072932.db2.gz HTJVVXQQGZENLV-HUUCEWRRSA-N 2 0 374.555 0.036 10 30 FCEERP NC(C[NH+]1CCCCCC1)=NOCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000151529593 666619948 /nfs/dbraw/zinc/61/99/48/666619948.db2.gz LGDLCUNBXMHJFA-UHFFFAOYSA-N 2 0 351.495 0.894 10 30 FCEERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C[NH+](C)C ZINC000867588625 672342935 /nfs/dbraw/zinc/34/29/35/672342935.db2.gz GHQUUTRGNRYPHJ-ZIAGYGMSSA-N 2 0 351.476 0.313 10 30 FCEERP Cc1ncc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C#N 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ZUXIBUOCEUORBJ-ZWKOTPCHSA-N 2 0 371.485 0.705 10 30 FCEERP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261771553 526355927 /nfs/dbraw/zinc/35/59/27/526355927.db2.gz PGYZHEFNNCJSRM-HNNXBMFYSA-N 2 0 361.494 0.519 10 30 FCEERP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262599601 526356266 /nfs/dbraw/zinc/35/62/66/526356266.db2.gz YEPONAIHMXMXLE-DLBZAZTESA-N 2 0 365.522 0.759 10 30 FCEERP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000262972581 526413449 /nfs/dbraw/zinc/41/34/49/526413449.db2.gz SBZQCQNWIYCRRN-GJZGRUSLSA-N 2 0 359.474 0.917 10 30 FCEERP CC[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261735221 528805112 /nfs/dbraw/zinc/80/51/12/528805112.db2.gz JWLZCKUVMUISBU-LJQANCHMSA-N 2 0 364.538 0.192 10 30 FCEERP C#CCN1CCN(C(=O)C[N@H+](CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000879125159 673100418 /nfs/dbraw/zinc/10/04/18/673100418.db2.gz ROBTURHSNDOEKI-UHFFFAOYSA-N 2 0 350.507 0.054 10 30 FCEERP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001772515086 1168426473 /nfs/dbraw/zinc/42/64/73/1168426473.db2.gz WVYAAKMATHUTSN-FGTMMUONSA-N 2 0 362.518 0.684 10 30 FCEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCn2cncn2)CC1 ZINC001270314991 1188091174 /nfs/dbraw/zinc/09/11/74/1188091174.db2.gz BZYFKQRAMRXWCS-SJLPKXTDSA-N 2 0 358.490 0.545 10 30 FCEERP O=C1C[C@@]2(CN1)CCC[NH+](CC#CC[N@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000551393748 1193854939 /nfs/dbraw/zinc/85/49/39/1193854939.db2.gz OBLZAJBSRBMPRY-BGYRXZFFSA-N 2 0 358.486 0.194 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000910887083 1195857953 /nfs/dbraw/zinc/85/79/53/1195857953.db2.gz ZBSGGBAXIPLRCO-KRWDZBQOSA-N 2 0 360.502 0.487 10 30 FCEERP C=C1[C@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000912049761 1196328592 /nfs/dbraw/zinc/32/85/92/1196328592.db2.gz XBLRZUCDAOHZSJ-ARAZSQDJSA-N 2 0 362.518 0.701 10 30 FCEERP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001489204819 1208667236 /nfs/dbraw/zinc/66/72/36/1208667236.db2.gz CWBLLCFDLFDMNP-ZACQAIPSSA-N 2 0 350.507 0.799 10 30 FCEERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264558714 1260380666 /nfs/dbraw/zinc/38/06/66/1260380666.db2.gz YNTYXTSRMBTESA-QZWWFDLISA-N 2 0 363.506 0.573 10 30 FCEERP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001273027179 1260568312 /nfs/dbraw/zinc/56/83/12/1260568312.db2.gz PKEWNWLWFNXIHJ-UHOSZYNNSA-N 2 0 370.497 0.566 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[N@@H+](C)CC)CC1 ZINC001291896929 1262607219 /nfs/dbraw/zinc/60/72/19/1262607219.db2.gz KIEHZNLQSWQHOW-QYZOEREBSA-N 2 0 374.529 0.922 10 30 FCEERP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001316666253 1263408285 /nfs/dbraw/zinc/40/82/85/1263408285.db2.gz BYFVNZQMBTWNQH-FGTMMUONSA-N 2 0 362.518 0.875 10 30 FCEERP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1=O ZINC001497383843 1263928239 /nfs/dbraw/zinc/92/82/39/1263928239.db2.gz NZYKHDGAUUWPQY-GVDBMIGSSA-N 2 0 350.507 0.942 10 30 FCEERP C[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001570030900 1269832770 /nfs/dbraw/zinc/83/27/70/1269832770.db2.gz DNUNCTPMNZIRQR-IIDMSEBBSA-N 2 0 371.485 0.933 10 30 FCEERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CCCCC2)CC[N@@H+]1C ZINC001714975217 1287340653 /nfs/dbraw/zinc/34/06/53/1287340653.db2.gz KLPSTXRZDAPJJQ-DJIMGWMZSA-N 2 0 363.506 0.621 10 30 FCEERP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716453402 1287380954 /nfs/dbraw/zinc/38/09/54/1287380954.db2.gz QDUHAKYPTUIKAE-JQHSSLGASA-N 2 0 356.470 0.176 10 30 FCEERP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001656402047 1291519219 /nfs/dbraw/zinc/51/92/19/1291519219.db2.gz ILDYLTPWWCWWTB-KSZLIROESA-N 2 0 361.490 0.601 10 30 FCEERP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001656848067 1291567338 /nfs/dbraw/zinc/56/73/38/1291567338.db2.gz VGYKOZXEIUDLST-MSOLQXFVSA-N 2 0 360.502 0.392 10 30 FCEERP C=CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001656889967 1291571340 /nfs/dbraw/zinc/57/13/40/1291571340.db2.gz SIMXUOHXPOSDHJ-IXDOHACOSA-N 2 0 350.507 0.990 10 30 FCEERP C=CC[C@@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC001262045756 858765939 /nfs/dbraw/zinc/76/59/39/858765939.db2.gz AKHNMRPZEOWPFN-HKUYNNGSSA-N 2 0 350.507 0.598 10 30 FCEERP C=CCN1CC[C@H]([NH+](C)CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1=O ZINC001264987608 859450983 /nfs/dbraw/zinc/45/09/83/859450983.db2.gz DKOQIXFTWGBXPM-BBWFWOEESA-N 2 0 350.507 0.942 10 30 FCEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000419573431 246208462 /nfs/dbraw/zinc/20/84/62/246208462.db2.gz RWAPQHRLKNWSGD-IXDOHACOSA-N 2 0 350.507 0.915 10 30 FCEERP CCc1nsc(N2CCN(C(NC[C@H]3CCC[N@@H+]3C)=[NH+]C)CC2)n1 ZINC000261810961 229289511 /nfs/dbraw/zinc/28/95/11/229289511.db2.gz SNQLWTFUIHBIBG-CYBMUJFWSA-N 2 0 351.524 0.892 10 30 FCEERP CC(C)C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(=O)NCC[NH+](C)C ZINC000579710136 491703451 /nfs/dbraw/zinc/70/34/51/491703451.db2.gz BVGFEMSJRGYWDK-INIZCTEOSA-N 2 0 357.462 0.783 10 30 FCEERP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC000599961390 492223450 /nfs/dbraw/zinc/22/34/50/492223450.db2.gz BPUYRNDTEGYKPQ-CRAIPNDOSA-N 2 0 371.485 0.705 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656311736 492585692 /nfs/dbraw/zinc/58/56/92/492585692.db2.gz OPHLJWJHSXEQLZ-OAGGEKHMSA-N 2 0 366.506 0.367 10 30 FCEERP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000153324910 526355645 /nfs/dbraw/zinc/35/56/45/526355645.db2.gz ACPNFVWOZDXDTM-KRWDZBQOSA-N 2 0 363.510 0.006 10 30 FCEERP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCC(=O)NC1 ZINC000262803726 528803536 /nfs/dbraw/zinc/80/35/36/528803536.db2.gz RUZGOPLNOHXAEL-OAHLLOKOSA-N 2 0 351.495 0.465 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261942041 528810862 /nfs/dbraw/zinc/81/08/62/528810862.db2.gz DRVDUIPVKWFELV-SJORKVTESA-N 2 0 360.506 0.746 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261837315 528811844 /nfs/dbraw/zinc/81/18/44/528811844.db2.gz WGOJTUJUAUUGDC-IAGOWNOFSA-N 2 0 363.510 0.005 10 30 FCEERP CC[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261770669 528813161 /nfs/dbraw/zinc/81/31/61/528813161.db2.gz OAZQIOURBSCUNO-QFBILLFUSA-N 2 0 364.538 0.190 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000179206125 528813372 /nfs/dbraw/zinc/81/33/72/528813372.db2.gz RNLMWRDSBGDIEX-HZPDHXFCSA-N 2 0 374.537 0.271 10 30 FCEERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H]1C[NH+](C)C ZINC000867590328 672343356 /nfs/dbraw/zinc/34/33/56/672343356.db2.gz OOKKOPXIYIGEHO-ZIAGYGMSSA-N 2 0 351.476 0.313 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC001482731848 1192374822 /nfs/dbraw/zinc/37/48/22/1192374822.db2.gz ZUGMAIQNMODBHM-SOLBZPMBSA-N 2 0 362.449 0.994 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC001482731849 1192375072 /nfs/dbraw/zinc/37/50/72/1192375072.db2.gz ZUGMAIQNMODBHM-XYJFISCASA-N 2 0 362.449 0.994 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C3)CC1 ZINC001719908599 1191028848 /nfs/dbraw/zinc/02/88/48/1191028848.db2.gz LFVXYBNGTSNAJW-MKXGPGLRSA-N 2 0 374.529 0.920 10 30 FCEERP C[C@H](CN1CCOCC1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000551739007 1193869381 /nfs/dbraw/zinc/86/93/81/1193869381.db2.gz PHWNLFGDXODACO-BGYRXZFFSA-N 2 0 366.550 0.295 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1)C1CC[NH+](C)CC1 ZINC000910885822 1195857320 /nfs/dbraw/zinc/85/73/20/1195857320.db2.gz OAAYTFAVZFMFAF-QGZVFWFLSA-N 2 0 362.518 0.733 10 30 FCEERP C=C1[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902615 1196384401 /nfs/dbraw/zinc/38/44/01/1196384401.db2.gz MRDVOZPUBRDDOB-USTZCAOPSA-N 2 0 358.486 0.402 10 30 FCEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)C(=C)CC[NH+](C)C)CCO1 ZINC000913741689 1197120584 /nfs/dbraw/zinc/12/05/84/1197120584.db2.gz WFLVEXSGOPHIIN-QGZVFWFLSA-N 2 0 366.506 0.346 10 30 FCEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)C(=C)CC[NH+](C)C)CCO1 ZINC000913741688 1197120989 /nfs/dbraw/zinc/12/09/89/1197120989.db2.gz WFLVEXSGOPHIIN-KRWDZBQOSA-N 2 0 366.506 0.346 10 30 FCEERP C#CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000913999033 1197196993 /nfs/dbraw/zinc/19/69/93/1197196993.db2.gz JZNXVELHDIOUJR-LJQANCHMSA-N 2 0 363.550 0.997 10 30 FCEERP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001488943806 1208579959 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SSBRYLUWISWRSY-DZKIICNBSA-N 2 0 360.462 0.870 10 30 FCEERP C#C[C@@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000838069216 1222668585 /nfs/dbraw/zinc/66/85/85/1222668585.db2.gz OOEQDCVIYMZUBY-QGZVFWFLSA-N 2 0 357.458 0.637 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)/C=C(\C)C(=O)NC2CC[NH+](CC#C)CC2)CC1 ZINC001520694764 1265970025 /nfs/dbraw/zinc/97/00/25/1265970025.db2.gz GZEYQRCBFSQVIV-WUKNDPDISA-N 2 0 370.497 0.360 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)CC1 ZINC001290646069 1262484674 /nfs/dbraw/zinc/48/46/74/1262484674.db2.gz WZUDOOIRQAWSAF-AEFFLSMTSA-N 2 0 362.518 0.779 10 30 FCEERP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CC#CCOC ZINC001479542338 1263246091 /nfs/dbraw/zinc/24/60/91/1263246091.db2.gz MVIMIVMZTYZNBW-KZNAEPCWSA-N 2 0 351.491 0.431 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479581159 1263263202 /nfs/dbraw/zinc/26/32/02/1263263202.db2.gz PRKANOIZMBZDCW-IKGGRYGDSA-N 2 0 360.502 0.437 10 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C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCC ZINC001707168698 1286488642 /nfs/dbraw/zinc/48/86/42/1286488642.db2.gz RYIOQADTKBZJRV-ZACQAIPSSA-N 2 0 350.507 0.683 10 30 FCEERP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001734268763 1288647735 /nfs/dbraw/zinc/64/77/35/1288647735.db2.gz ZWUWXCKFAORGCX-DLBZAZTESA-N 2 0 350.507 0.942 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001758866691 1290843517 /nfs/dbraw/zinc/84/35/17/1290843517.db2.gz GQJURVYQPYPTCX-JFIYKMOQSA-N 2 0 362.518 0.683 10 30 FCEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1OCC ZINC001263975849 859263742 /nfs/dbraw/zinc/26/37/42/859263742.db2.gz SRTNDQPZNINABE-RCCFBDPRSA-N 2 0 353.507 0.984 10 30 FCEERP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC001284297442 864552040 /nfs/dbraw/zinc/55/20/40/864552040.db2.gz UODPEPSHFDKVGZ-ARFHVFGLSA-N 2 0 350.507 0.846 10 30 FCEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001331706751 873205928 /nfs/dbraw/zinc/20/59/28/873205928.db2.gz INRQGOASTVKGTC-BFHYXJOUSA-N 2 0 355.870 0.203 10 30 FCEERP CN1CCO[C@@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@H]21 ZINC000328876000 488945917 /nfs/dbraw/zinc/94/59/17/488945917.db2.gz KAEKWCGPFIBTDC-HZPDHXFCSA-N 2 0 353.511 0.331 10 30 FCEERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000420098074 489911052 /nfs/dbraw/zinc/91/10/52/489911052.db2.gz IJQXNAUAMRVEHO-CRAIPNDOSA-N 2 0 371.485 0.563 10 30 FCEERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000567686584 491523137 /nfs/dbraw/zinc/52/31/37/491523137.db2.gz PLNKUIJEFCBDDK-JLAWEPINSA-N 2 0 373.501 0.841 10 30 FCEERP C[NH+]1CCN(CCCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000583859459 491853478 /nfs/dbraw/zinc/85/34/78/491853478.db2.gz ZKGJHKJPWXAZOD-UHFFFAOYSA-N 2 0 364.515 0.949 10 30 FCEERP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCN(C2CC2)C(=O)C1 ZINC000262783982 526349312 /nfs/dbraw/zinc/34/93/12/526349312.db2.gz LUHSPZNYBXOEOX-UHFFFAOYSA-N 2 0 365.522 0.758 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261804924 526373259 /nfs/dbraw/zinc/37/32/59/526373259.db2.gz SCGJIXPAECBKLC-LSDHHAIUSA-N 2 0 353.511 0.471 10 30 FCEERP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261657766 526375350 /nfs/dbraw/zinc/37/53/50/526375350.db2.gz ASKPSDAWUPKJBD-DOTOQJQBSA-N 2 0 363.510 0.005 10 30 FCEERP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262753205 526412803 /nfs/dbraw/zinc/41/28/03/526412803.db2.gz AJOQQXJAHJDVRJ-CQSZACIVSA-N 2 0 353.511 0.662 10 30 FCEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262590641 528809781 /nfs/dbraw/zinc/80/97/81/528809781.db2.gz UQOZAPGSKSWSRL-JKSUJKDBSA-N 2 0 351.495 0.369 10 30 FCEERP CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261971752 528814764 /nfs/dbraw/zinc/81/47/64/528814764.db2.gz NAMZDMAOZPSYQL-BZUAXINKSA-N 2 0 373.567 0.694 10 30 FCEERP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000865197509 672232800 /nfs/dbraw/zinc/23/28/00/672232800.db2.gz CKMGPFDYHWXXPP-ZDUSSCGKSA-N 2 0 353.467 0.545 10 30 FCEERP CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591013 672344006 /nfs/dbraw/zinc/34/40/06/672344006.db2.gz XDSNOQLJEUBMGB-ARFHVFGLSA-N 2 0 359.540 0.384 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000928660073 673924356 /nfs/dbraw/zinc/92/43/56/673924356.db2.gz GRHAJAUSPMDZIZ-HNNXBMFYSA-N 2 0 352.479 0.655 10 30 FCEERP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001481283016 1183197848 /nfs/dbraw/zinc/19/78/48/1183197848.db2.gz VJECRJMMTYCDPD-MSOLQXFVSA-N 2 0 358.486 0.682 10 30 FCEERP C#CCN(C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2)C1CC[NH+](C)CC1 ZINC000910882788 1195856561 /nfs/dbraw/zinc/85/65/61/1195856561.db2.gz HWFPFNQYKYXTQS-UHFFFAOYSA-N 2 0 374.529 0.877 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000910887062 1195857681 /nfs/dbraw/zinc/85/76/81/1195857681.db2.gz YLOSACWREPYWRA-UHFFFAOYSA-N 2 0 360.502 0.629 10 30 FCEERP COC(=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919093 1196840463 /nfs/dbraw/zinc/84/04/63/1196840463.db2.gz NZNOBPHHSAFRFE-KRWDZBQOSA-N 2 0 358.442 0.919 10 30 FCEERP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001489191698 1208654852 /nfs/dbraw/zinc/65/48/52/1208654852.db2.gz RPQBKCHFDBMVLG-ZACQAIPSSA-N 2 0 360.502 0.389 10 30 FCEERP C#CCN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000929498276 1211641704 /nfs/dbraw/zinc/64/17/04/1211641704.db2.gz SQYMQZIADIIJMQ-UHFFFAOYSA-N 2 0 360.502 0.533 10 30 FCEERP C#CCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000919517367 1245605897 /nfs/dbraw/zinc/60/58/97/1245605897.db2.gz PMEKCWDKSVGZGQ-INIZCTEOSA-N 2 0 363.506 0.313 10 30 FCEERP C=CCNC(=O)[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001330487315 1266036476 /nfs/dbraw/zinc/03/64/76/1266036476.db2.gz WASSGXNCOKUQBL-IXDOHACOSA-N 2 0 362.518 0.942 10 30 FCEERP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001264648694 1260390477 /nfs/dbraw/zinc/39/04/77/1260390477.db2.gz ARTICLNXDAOGHD-SJORKVTESA-N 2 0 360.502 0.391 10 30 FCEERP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]CC#CCOC ZINC001479542341 1263246910 /nfs/dbraw/zinc/24/69/10/1263246910.db2.gz MVIMIVMZTYZNBW-RCCFBDPRSA-N 2 0 351.491 0.431 10 30 FCEERP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316707767 1263432082 /nfs/dbraw/zinc/43/20/82/1263432082.db2.gz GCIXCDNQDHCEFH-ZACQAIPSSA-N 2 0 362.518 0.990 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)NCC2(C)CC[NH+](CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001484137334 1263455245 /nfs/dbraw/zinc/45/52/45/1263455245.db2.gz WRNQBZBJYRFPAC-JKSUJKDBSA-N 2 0 363.506 0.575 10 30 FCEERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)CC(C)(C)C2)CC[N@@H+]1C ZINC001316811005 1263491960 /nfs/dbraw/zinc/49/19/60/1263491960.db2.gz MWWOOVGKOUUVOG-OWCLPIDISA-N 2 0 363.506 0.573 10 30 FCEERP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001496170107 1263861804 /nfs/dbraw/zinc/86/18/04/1263861804.db2.gz JZPYAGJJJAJWFS-UHOSZYNNSA-N 2 0 370.497 0.518 10 30 FCEERP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001500677495 1264080165 /nfs/dbraw/zinc/08/01/65/1264080165.db2.gz KKYKPJQZPLXPNS-XFQXTVEOSA-N 2 0 356.470 0.951 10 30 FCEERP C=CCOCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001505381317 1264269659 /nfs/dbraw/zinc/26/96/59/1264269659.db2.gz YIGQXJLMPRZLFL-DLBZAZTESA-N 2 0 353.507 0.862 10 30 FCEERP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001327148503 1265241829 /nfs/dbraw/zinc/24/18/29/1265241829.db2.gz SMCQKJYWYVYYGA-ARFHVFGLSA-N 2 0 357.458 0.244 10 30 FCEERP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001333656117 1266668380 /nfs/dbraw/zinc/66/83/80/1266668380.db2.gz QKKQZWZYFQTNOA-LSDHHAIUSA-N 2 0 359.478 0.546 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001334762185 1267165550 /nfs/dbraw/zinc/16/55/50/1267165550.db2.gz GUKSFFAKWWIEJF-XYJFISCASA-N 2 0 362.518 0.942 10 30 FCEERP C#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001338282094 1267898843 /nfs/dbraw/zinc/89/88/43/1267898843.db2.gz QCWXMUDOBHFRJM-IAGOWNOFSA-N 2 0 356.470 0.804 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC001338368084 1267921723 /nfs/dbraw/zinc/92/17/23/1267921723.db2.gz ZEHNJHQRUDDOGM-UHFFFAOYSA-N 2 0 356.470 0.943 10 30 FCEERP C[C@H](C[NH2+]CC(=O)NCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716395868 1287377603 /nfs/dbraw/zinc/37/76/03/1287377603.db2.gz VVKPBHMBSCCFQU-ZHALLVOQSA-N 2 0 370.497 0.589 10 30 FCEERP 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ZINC000261678735 528811360 /nfs/dbraw/zinc/81/13/60/528811360.db2.gz CVDVWXIOWCYZHD-QGZVFWFLSA-N 2 0 363.510 0.004 10 30 FCEERP CC[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261945094 528813186 /nfs/dbraw/zinc/81/31/86/528813186.db2.gz FPCFJMBUOJLLLR-HNNXBMFYSA-N 2 0 373.567 0.097 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H](CC)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001746159714 1192246279 /nfs/dbraw/zinc/24/62/79/1192246279.db2.gz ZTKCWPCWVSGFGV-KBAYOESNSA-N 2 0 362.518 0.683 10 30 FCEERP C=CCN1CC[C@H]([NH+](CC)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1=O ZINC001480975686 1181859905 /nfs/dbraw/zinc/85/99/05/1181859905.db2.gz DMIGNKYSZSHMBK-BBWFWOEESA-N 2 0 350.507 0.942 10 30 FCEERP COCC#CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001269639680 1187860510 /nfs/dbraw/zinc/86/05/10/1187860510.db2.gz JPQYOVGQLLHTEZ-IEBWSBKVSA-N 2 0 365.518 0.916 10 30 FCEERP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCC1 ZINC001270404386 1188137282 /nfs/dbraw/zinc/13/72/82/1188137282.db2.gz XFEKWHONQICVLZ-OKZBNKHCSA-N 2 0 362.518 0.731 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1)C1CC[NH+](C)CC1 ZINC000910885821 1195857390 /nfs/dbraw/zinc/85/73/90/1195857390.db2.gz OAAYTFAVZFMFAF-KRWDZBQOSA-N 2 0 362.518 0.733 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000910887692 1195858475 /nfs/dbraw/zinc/85/84/75/1195858475.db2.gz SMMNVDZPVOXYSZ-GOSISDBHSA-N 2 0 374.529 0.733 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000929143315 1211618492 /nfs/dbraw/zinc/61/84/92/1211618492.db2.gz MHVBEDXFIDVRIW-IBGZPJMESA-N 2 0 370.497 0.962 10 30 FCEERP C#CCN(C(=O)C(=O)NCCC1CC[NH+](CC)CC1)C1CC[NH+](C)CC1 ZINC000930109460 1211688448 /nfs/dbraw/zinc/68/84/48/1211688448.db2.gz CXSCVSGLEKYSML-UHFFFAOYSA-N 2 0 362.518 0.781 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000930742306 1211720423 /nfs/dbraw/zinc/72/04/23/1211720423.db2.gz CGNQAFUPHQKWFE-QGZVFWFLSA-N 2 0 362.518 0.779 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(CC)CCC#N)C2)CC[N@@H+]1C ZINC001490888514 1216835898 /nfs/dbraw/zinc/83/58/98/1216835898.db2.gz AXYQCIJLSVQAMF-LUKYLMHMSA-N 2 0 363.506 0.716 10 30 FCEERP C=C(CC[NH+](C)C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000900466186 1217991658 /nfs/dbraw/zinc/99/16/58/1217991658.db2.gz FFFAYLUYQNEZMX-UHFFFAOYSA-N 2 0 358.486 0.955 10 30 FCEERP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413048 1245717414 /nfs/dbraw/zinc/71/74/14/1245717414.db2.gz CJFBATMZRAHYJD-ONIAQPFYSA-N 2 0 372.425 0.165 10 30 FCEERP C#CCN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1CC[NH+](C)CC1 ZINC001262274570 1260292350 /nfs/dbraw/zinc/29/23/50/1260292350.db2.gz BYPLLJNTBBJALQ-UHFFFAOYSA-N 2 0 362.518 0.781 10 30 FCEERP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650040 1260393343 /nfs/dbraw/zinc/39/33/43/1260393343.db2.gz CENPISAWIIYNIS-FJIDUMEYSA-N 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C=CCNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499986135 1264052777 /nfs/dbraw/zinc/05/27/77/1264052777.db2.gz HHNSHBPGGDRRHM-BZUAXINKSA-N 2 0 350.507 0.988 10 30 FCEERP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001325740257 1264982802 /nfs/dbraw/zinc/98/28/02/1264982802.db2.gz FUMRXGWBRGDQRA-DFBDCSAJSA-N 2 0 360.502 0.245 10 30 FCEERP C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001539430816 1267427746 /nfs/dbraw/zinc/42/77/46/1267427746.db2.gz LZILFMKGPFMKPR-LPHOPBHVSA-N 2 0 360.506 0.613 10 30 FCEERP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001566044816 1269576632 /nfs/dbraw/zinc/57/66/32/1269576632.db2.gz QFHAREXVIYORKY-BBWFWOEESA-N 2 0 362.518 0.942 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001717252359 1287414584 /nfs/dbraw/zinc/41/45/84/1287414584.db2.gz CDUZDLRLKLSNGT-YQVWRLOYSA-N 2 0 351.491 0.310 10 30 FCEERP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001717959076 1287450993 /nfs/dbraw/zinc/45/09/93/1287450993.db2.gz LOAKYMSCYXMBLM-ARFHVFGLSA-N 2 0 350.507 0.587 10 30 FCEERP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NCC#N)CC3)CC[N@@H+]1C ZINC001723699046 1288427832 /nfs/dbraw/zinc/42/78/32/1288427832.db2.gz ZGTNMJJIPGLELE-HZPDHXFCSA-N 2 0 361.490 0.281 10 30 FCEERP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733685825 1288625125 /nfs/dbraw/zinc/62/51/25/1288625125.db2.gz CJDWOOSPLJUTJN-QBPKDAKJSA-N 2 0 350.507 0.893 10 30 FCEERP C=CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001733829964 1288632311 /nfs/dbraw/zinc/63/23/11/1288632311.db2.gz GFTWARFSRGJFTP-ARFHVFGLSA-N 2 0 366.506 0.272 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001734017862 1288638495 /nfs/dbraw/zinc/63/84/95/1288638495.db2.gz BSQJXUYUXVYEEE-LSDHHAIUSA-N 2 0 351.495 0.431 10 30 FCEERP 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C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001316707927 867413758 /nfs/dbraw/zinc/41/37/58/867413758.db2.gz FQQVFQXXCWRKGP-ZACQAIPSSA-N 2 0 350.507 0.990 10 30 FCEERP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)CC1 ZINC001329597462 872125016 /nfs/dbraw/zinc/12/50/16/872125016.db2.gz WBANAKTVLNZZTL-AEFFLSMTSA-N 2 0 350.507 0.816 10 30 FCEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001331706757 873206257 /nfs/dbraw/zinc/20/62/57/873206257.db2.gz INRQGOASTVKGTC-IHRRRGAJSA-N 2 0 355.870 0.203 10 30 FCEERP C=CCN1CC[C@@H](N(C)CC#CCN(C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000284908338 489315717 /nfs/dbraw/zinc/31/57/17/489315717.db2.gz VDEFFBKSELVGML-HDICACEKSA-N 2 0 358.486 0.427 10 30 FCEERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000420108912 489914720 /nfs/dbraw/zinc/91/47/20/489914720.db2.gz CVGDQQJJIJDMQS-QAPCUYQASA-N 2 0 371.485 0.563 10 30 FCEERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000567686585 491523247 /nfs/dbraw/zinc/52/32/47/491523247.db2.gz PLNKUIJEFCBDDK-XBMUEBEBSA-N 2 0 373.501 0.841 10 30 FCEERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cn2)CC1 ZINC000599290172 492155541 /nfs/dbraw/zinc/15/55/41/492155541.db2.gz RIZUZHLXGMRABC-SFHVURJKSA-N 2 0 373.501 0.994 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656311730 492585742 /nfs/dbraw/zinc/58/57/42/492585742.db2.gz OPHLJWJHSXEQLZ-HRCADAONSA-N 2 0 366.506 0.367 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659706813 493265431 /nfs/dbraw/zinc/26/54/31/493265431.db2.gz OYDVNKZWYZGZFX-QGZVFWFLSA-N 2 0 362.518 0.991 10 30 FCEERP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662818012 493544989 /nfs/dbraw/zinc/54/49/89/493544989.db2.gz ZUFXWFXLGBCUJD-JTDSTZFVSA-N 2 0 361.490 0.431 10 30 FCEERP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261787614 526368699 /nfs/dbraw/zinc/36/86/99/526368699.db2.gz FYOBDORGPFANJW-MRXNPFEDSA-N 2 0 366.554 0.529 10 30 FCEERP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261749573 526370744 /nfs/dbraw/zinc/37/07/44/526370744.db2.gz LQXMVAFFHBLLBE-MAUKXSAKSA-N 2 0 351.495 0.275 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000262024358 526372854 /nfs/dbraw/zinc/37/28/54/526372854.db2.gz ZKJJRMCOAYCRAR-DLBZAZTESA-N 2 0 361.538 0.732 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000262006010 526373706 /nfs/dbraw/zinc/37/37/06/526373706.db2.gz VQHCHPFDHBMELO-DLBZAZTESA-N 2 0 359.522 0.486 10 30 FCEERP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261813260 528814833 /nfs/dbraw/zinc/81/48/33/528814833.db2.gz HTWPAQIOJWAVHQ-INIZCTEOSA-N 2 0 366.554 0.529 10 30 FCEERP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419953940 535860721 /nfs/dbraw/zinc/86/07/21/535860721.db2.gz QGWJEOHWKBPVQX-GOSISDBHSA-N 2 0 371.485 0.707 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000127934090 665855276 /nfs/dbraw/zinc/85/52/76/665855276.db2.gz MNFIBFSCLYIGRF-KRWDZBQOSA-N 2 0 350.507 0.540 10 30 FCEERP CCOC(=O)N1CCC(NC(=[NH2+])NCCCC[NH+]2CCOCC2)CC1 ZINC000303906815 665168904 /nfs/dbraw/zinc/16/89/04/665168904.db2.gz WKTIJIJLDCJVQZ-UHFFFAOYSA-N 2 0 355.483 0.624 10 30 FCEERP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000863132465 672101814 /nfs/dbraw/zinc/10/18/14/672101814.db2.gz DCDGJQRKOLDBSV-INIZCTEOSA-N 2 0 350.488 0.939 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000897674622 1192840962 /nfs/dbraw/zinc/84/09/62/1192840962.db2.gz BOLYHHJPBUETOU-INIZCTEOSA-N 2 0 371.485 0.885 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910882345 1195856517 /nfs/dbraw/zinc/85/65/17/1195856517.db2.gz DBKBEXHDUZXZEB-SJLPKXTDSA-N 2 0 360.502 0.485 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910882343 1195856728 /nfs/dbraw/zinc/85/67/28/1195856728.db2.gz DBKBEXHDUZXZEB-FUHWJXTLSA-N 2 0 360.502 0.485 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCCO)[C@@H]2CC)CC1 ZINC001489148064 1208645852 /nfs/dbraw/zinc/64/58/52/1208645852.db2.gz VYNFRMGHVNQIHU-ZWKOTPCHSA-N 2 0 351.491 0.310 10 30 FCEERP C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867630605 1210019022 /nfs/dbraw/zinc/01/90/22/1210019022.db2.gz ZFFCLKMCXQTXDL-KZNAEPCWSA-N 2 0 364.534 0.999 10 30 FCEERP C[NH+](C)C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1C[NH+](C)C ZINC000870020502 1210099600 /nfs/dbraw/zinc/09/96/00/1210099600.db2.gz RKDIHTAZFPAVRP-IAGOWNOFSA-N 2 0 357.454 0.965 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000930006201 1211681526 /nfs/dbraw/zinc/68/15/26/1211681526.db2.gz CRHAUDIZSPOLTP-QGZVFWFLSA-N 2 0 364.490 0.123 10 30 FCEERP C#CCN(C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)C1CC[NH+](C)CC1 ZINC000920463688 1245624215 /nfs/dbraw/zinc/62/42/15/1245624215.db2.gz ZKJCDOMUEUTOOV-SFHVURJKSA-N 2 0 363.550 0.999 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)CCC)CC1 ZINC001282746710 1261605797 /nfs/dbraw/zinc/60/57/97/1261605797.db2.gz DHJYGOBOHVRDRZ-QRVBRYPASA-N 2 0 374.529 0.922 10 30 FCEERP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001479667661 1263320744 /nfs/dbraw/zinc/32/07/44/1263320744.db2.gz WYBBUYONXVDART-SQNIBIBYSA-N 2 0 360.502 0.391 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001495414417 1263819057 /nfs/dbraw/zinc/81/90/57/1263819057.db2.gz ABHLZHCLVQZLJD-DLBZAZTESA-N 2 0 363.506 0.575 10 30 FCEERP C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001322997830 1264310245 /nfs/dbraw/zinc/31/02/45/1264310245.db2.gz KUASHHZTINPCLX-DOTOQJQBSA-N 2 0 364.490 0.075 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC1 ZINC001514112701 1265325106 /nfs/dbraw/zinc/32/51/06/1265325106.db2.gz GLVYGHFFGUVBPF-QZTJIDSGSA-N 2 0 360.502 0.343 10 30 FCEERP C=C1[C@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)[C@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001514564950 1265359005 /nfs/dbraw/zinc/35/90/05/1265359005.db2.gz JBZPIERBSPLLGN-MHORFTMASA-N 2 0 358.486 0.209 10 30 FCEERP C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001569864230 1269812177 /nfs/dbraw/zinc/81/21/77/1269812177.db2.gz PDCHURPQHMODNX-QBPKDAKJSA-N 2 0 371.485 0.775 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N(C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001577090146 1274149556 /nfs/dbraw/zinc/14/95/56/1274149556.db2.gz RUXLVVHWYXKYJN-SJLPKXTDSA-N 2 0 362.518 0.637 10 30 FCEERP C=CCNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001714264146 1287318064 /nfs/dbraw/zinc/31/80/64/1287318064.db2.gz KUSHTVLEBQBNRK-NVXWUHKLSA-N 2 0 350.507 0.847 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001716884523 1287392258 /nfs/dbraw/zinc/39/22/58/1287392258.db2.gz XDAJBPWXJMFSAK-IXDOHACOSA-N 2 0 362.518 0.683 10 30 FCEERP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001671998068 1292054897 /nfs/dbraw/zinc/05/48/97/1292054897.db2.gz BLLZNDBAXOHFJW-XFQXTVEOSA-N 2 0 356.470 0.951 10 30 FCEERP C=CCOCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001274519883 860768389 /nfs/dbraw/zinc/76/83/89/860768389.db2.gz BWCDHMIEYWVYJW-DLBZAZTESA-N 2 0 353.507 0.862 10 30 FCEERP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001326023008 870144294 /nfs/dbraw/zinc/14/42/94/870144294.db2.gz OPGDZOPZGXNVLV-CZUORRHYSA-N 2 0 350.488 0.870 10 30 FCEERP C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001330511754 872678915 /nfs/dbraw/zinc/67/89/15/872678915.db2.gz SPAXJWBKBCUULV-BRWVUGGUSA-N 2 0 350.507 0.609 10 30 FCEERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)cn2)CC1 ZINC000578063913 491668992 /nfs/dbraw/zinc/66/89/92/491668992.db2.gz HXEGGWBJHLHOFI-SFHVURJKSA-N 2 0 360.506 0.519 10 30 FCEERP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000615156012 492076342 /nfs/dbraw/zinc/07/63/42/492076342.db2.gz GEMPXTQBKYISMA-UHFFFAOYSA-N 2 0 369.429 0.900 10 30 FCEERP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319145 492159503 /nfs/dbraw/zinc/15/95/03/492159503.db2.gz KMKJPXUFMGDODK-SJORKVTESA-N 2 0 364.490 0.296 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000626806119 493022757 /nfs/dbraw/zinc/02/27/57/493022757.db2.gz BEEDJRRWPTXMFC-UHFFFAOYSA-N 2 0 358.442 0.874 10 30 FCEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000157033983 526370571 /nfs/dbraw/zinc/37/05/71/526370571.db2.gz LMPSCXYAMAVZFB-IRXDYDNUSA-N 2 0 364.538 0.285 10 30 FCEERP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000262782829 526378053 /nfs/dbraw/zinc/37/80/53/526378053.db2.gz LNTOWKNMTSBFIA-IBGZPJMESA-N 2 0 367.501 0.879 10 30 FCEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268043 529100268 /nfs/dbraw/zinc/10/02/68/529100268.db2.gz HTJVVXQQGZENLV-GJZGRUSLSA-N 2 0 374.555 0.036 10 30 FCEERP C#CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1CC[NH+](C)CC1 ZINC000929145007 673939898 /nfs/dbraw/zinc/93/98/98/673939898.db2.gz XYOGCPFEENICCF-UHFFFAOYSA-N 2 0 350.507 0.777 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)CC1 ZINC000930009733 673992480 /nfs/dbraw/zinc/99/24/80/673992480.db2.gz IQKNIARZZCXPFN-MRXNPFEDSA-N 2 0 354.495 0.226 10 30 FCEERP C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001481516516 1186217664 /nfs/dbraw/zinc/21/76/64/1186217664.db2.gz VNUYYBCYPVXAOT-USXIJHARSA-N 2 0 371.485 0.822 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000910885184 1195857481 /nfs/dbraw/zinc/85/74/81/1195857481.db2.gz HKSQYGBGDGIAQS-SFHVURJKSA-N 2 0 360.502 0.629 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000910887693 1195858198 /nfs/dbraw/zinc/85/81/98/1195858198.db2.gz SMMNVDZPVOXYSZ-SFHVURJKSA-N 2 0 374.529 0.733 10 30 FCEERP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C#N)C1 ZINC000912535946 1196350404 /nfs/dbraw/zinc/35/04/04/1196350404.db2.gz PFFNLEWFSJPTIZ-ZACQAIPSSA-N 2 0 361.490 0.233 10 30 FCEERP C=C1[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902614 1196384869 /nfs/dbraw/zinc/38/48/69/1196384869.db2.gz MRDVOZPUBRDDOB-MHORFTMASA-N 2 0 358.486 0.402 10 30 FCEERP C#CCNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001275684960 1211273385 /nfs/dbraw/zinc/27/33/85/1211273385.db2.gz MQCNQYQZKYUXEZ-RRFJBIMHSA-N 2 0 359.474 0.725 10 30 FCEERP C#CCN(C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000929609609 1211650376 /nfs/dbraw/zinc/65/03/76/1211650376.db2.gz RAKDJNGAVGQJPV-UHFFFAOYSA-N 2 0 362.518 0.922 10 30 FCEERP C(#CC[NH2+][C@H]1CCOC12CCOCC2)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934400794 1211862142 /nfs/dbraw/zinc/86/21/42/1211862142.db2.gz COEXYCNZDOQTJY-HDICACEKSA-N 2 0 364.486 0.845 10 30 FCEERP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900372173 1217984473 /nfs/dbraw/zinc/98/44/73/1217984473.db2.gz QJXCQAMZGDWFRN-KNCCTNLNSA-N 2 0 358.486 0.494 10 30 FCEERP C=C1[C@H](C(=O)NCC2=CC[N@H+](C)CC2)[C@@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000901331288 1218114407 /nfs/dbraw/zinc/11/44/07/1218114407.db2.gz SECSFZAXVDCGSA-HDICACEKSA-N 2 0 358.486 0.545 10 30 FCEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000831551475 1222499063 /nfs/dbraw/zinc/49/90/63/1222499063.db2.gz PHJSYHYDDVKJPX-ROUUACIJSA-N 2 0 360.502 0.628 10 30 FCEERP N#Cc1ccc([C@H](O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000923398073 1245714911 /nfs/dbraw/zinc/71/49/11/1245714911.db2.gz GKTZOJJSKRIEQX-KURKYZTESA-N 2 0 356.426 0.849 10 30 FCEERP N#Cc1ccc([C@@H](O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000923398074 1245715433 /nfs/dbraw/zinc/71/54/33/1245715433.db2.gz GKTZOJJSKRIEQX-SQNIBIBYSA-N 2 0 356.426 0.849 10 30 FCEERP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329509822 1265772809 /nfs/dbraw/zinc/77/28/09/1265772809.db2.gz XXEZGFFVFGNIKG-TVFCKZIOSA-N 2 0 362.518 0.894 10 30 FCEERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C[C@H]1C[NH+](C)C ZINC001329830830 1265864136 /nfs/dbraw/zinc/86/41/36/1265864136.db2.gz QDGFAIAJHSXOIT-GPMSIDNRSA-N 2 0 363.506 0.336 10 30 FCEERP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479577963 1263261718 /nfs/dbraw/zinc/26/17/18/1263261718.db2.gz FFTSFKFYDSCYPR-AEFFLSMTSA-N 2 0 362.518 0.684 10 30 FCEERP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001479673222 1263336321 /nfs/dbraw/zinc/33/63/21/1263336321.db2.gz 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FCEERP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001673434467 1292107868 /nfs/dbraw/zinc/10/78/68/1292107868.db2.gz NVBDECXUUFAFJD-IXDOHACOSA-N 2 0 350.507 0.635 10 30 FCEERP C[NH+](C)CC#CCNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001685773275 1292629363 /nfs/dbraw/zinc/62/93/63/1292629363.db2.gz VMELIBPSUJVUDI-UHFFFAOYSA-N 2 0 358.486 0.878 10 30 FCEERP C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119018455 847679587 /nfs/dbraw/zinc/67/95/87/847679587.db2.gz MVHSNMXATAIAQE-BRWVUGGUSA-N 2 0 350.507 0.751 10 30 FCEERP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001264474966 859362317 /nfs/dbraw/zinc/36/23/17/859362317.db2.gz PPIUHDWFKRADNC-LUKYLMHMSA-N 2 0 350.507 0.893 10 30 FCEERP Cc1nnc(CNC(=[NH+]C[C@@H]2CCCO2)N2CC[C@H]([NH+]3CC=CC3)C2)n1C ZINC000262001813 229296230 /nfs/dbraw/zinc/29/62/30/229296230.db2.gz UMWMRZUDHBHIIH-IRXDYDNUSA-N 2 0 373.505 0.694 10 30 FCEERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000579584218 491700853 /nfs/dbraw/zinc/70/08/53/491700853.db2.gz LUEWRWGILGOPSV-JLAWEPINSA-N 2 0 373.501 0.841 10 30 FCEERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000599965508 492224138 /nfs/dbraw/zinc/22/41/38/492224138.db2.gz JIHMHTSFPFTQTK-WMLDXEAASA-N 2 0 357.458 0.315 10 30 FCEERP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261947499 526353495 /nfs/dbraw/zinc/35/34/95/526353495.db2.gz GHXPNTWPBBBDKP-GOEBONIOSA-N 2 0 373.567 0.552 10 30 FCEERP C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262022785 526376400 /nfs/dbraw/zinc/37/64/00/526376400.db2.gz RQAUWPGEPNCVFK-RYUDHWBXSA-N 2 0 357.911 0.600 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000911235496 666326223 /nfs/dbraw/zinc/32/62/23/666326223.db2.gz FUZGCPPXRVPJDI-STQMWFEESA-N 2 0 362.396 0.491 10 30 FCEERP 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ZINC001267292973 1179339878 /nfs/dbraw/zinc/33/98/78/1179339878.db2.gz JOSNBCYMALPNRE-FGTMMUONSA-N 2 0 362.518 0.965 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910882348 1195856596 /nfs/dbraw/zinc/85/65/96/1195856596.db2.gz DBKBEXHDUZXZEB-WMZOPIPTSA-N 2 0 360.502 0.485 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1 ZINC000911235618 1195920024 /nfs/dbraw/zinc/92/00/24/1195920024.db2.gz GHQBWVIBHFLKHN-RVWIWJKTSA-N 2 0 370.497 0.928 10 30 FCEERP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)c1 ZINC000593919284 1196840436 /nfs/dbraw/zinc/84/04/36/1196840436.db2.gz REUQLEGNOLMNPS-PXNSSMCTSA-N 2 0 354.454 0.875 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000914420544 1197539141 /nfs/dbraw/zinc/53/91/41/1197539141.db2.gz UKBVXXBSIGVCOQ-UHFFFAOYSA-N 2 0 370.501 0.730 10 30 FCEERP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930297 1209578830 /nfs/dbraw/zinc/57/88/30/1209578830.db2.gz IMUFMPMFCFCOLQ-QGZVFWFLSA-N 2 0 370.501 0.528 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000928654934 1211608313 /nfs/dbraw/zinc/60/83/13/1211608313.db2.gz IHVVLEPGIGWWSX-FUHWJXTLSA-N 2 0 360.502 0.533 10 30 FCEERP C#CCN(C(=O)C(=O)NCc1ccc2c[nH+]cn2c1)C1CC[NH+](C)CC1 ZINC000930819706 1211723825 /nfs/dbraw/zinc/72/38/25/1211723825.db2.gz ZVROEOTXQQWZCT-UHFFFAOYSA-N 2 0 353.426 0.507 10 30 FCEERP C=C1[C@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000900636381 1218015959 /nfs/dbraw/zinc/01/59/59/1218015959.db2.gz QXZYNIXODQVSJH-ROUUACIJSA-N 2 0 362.518 0.894 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC001120974589 1222135547 /nfs/dbraw/zinc/13/55/47/1222135547.db2.gz WNIJLCHICHDGQM-UHFFFAOYSA-N 2 0 372.473 0.302 10 30 FCEERP C#CC[N@@H+](CC[C@H]1CCNC1=O)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC001331158881 1266160438 /nfs/dbraw/zinc/16/04/38/1266160438.db2.gz USCJOTXMMNLOEP-DLBZAZTESA-N 2 0 360.502 0.438 10 30 FCEERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC001332518693 1266421903 /nfs/dbraw/zinc/42/19/03/1266421903.db2.gz SYOQDSIVWNNIMF-XOKHGSTOSA-N 2 0 362.449 0.946 10 30 FCEERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001479468093 1263210752 /nfs/dbraw/zinc/21/07/52/1263210752.db2.gz GCRBJYFOWSKMQF-YESZJQIVSA-N 2 0 363.506 0.623 10 30 FCEERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(C#N)CCOCC2)C[C@H]1C[NH+](C)C ZINC001479558618 1263253367 /nfs/dbraw/zinc/25/33/67/1263253367.db2.gz CANDRWJZUXOHKP-HZPDHXFCSA-N 2 0 351.495 0.688 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001479584877 1263265090 /nfs/dbraw/zinc/26/50/90/1263265090.db2.gz GRTRXVDCWUJVKB-NUJGCVRESA-N 2 0 362.518 0.683 10 30 FCEERP C#CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cnn(C)c1 ZINC001316673152 1263416483 /nfs/dbraw/zinc/41/64/83/1263416483.db2.gz MNOBOWZXWVMJMS-ZWKOTPCHSA-N 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FCEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C2)CC1 ZINC001735823577 1288930130 /nfs/dbraw/zinc/93/01/30/1288930130.db2.gz CNMVOBRCSXDJFF-SJLPKXTDSA-N 2 0 362.518 0.637 10 30 FCEERP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001700937905 1289616439 /nfs/dbraw/zinc/61/64/39/1289616439.db2.gz OVLWCAPPYHXGTN-XOKHGSTOSA-N 2 0 362.449 0.946 10 30 FCEERP C[NH+](C)CC#CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001687889431 1293027022 /nfs/dbraw/zinc/02/70/22/1293027022.db2.gz XTCIAZFEJWSBHA-OALUTQOASA-N 2 0 358.486 0.734 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001264492438 859367501 /nfs/dbraw/zinc/36/75/01/859367501.db2.gz QVOUIJVLELYTJF-DOTOQJQBSA-N 2 0 369.531 0.251 10 30 FCEERP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC#CCOC ZINC001264536211 859377026 /nfs/dbraw/zinc/37/70/26/859377026.db2.gz OUWQWJVJXPXNKB-RCCFBDPRSA-N 2 0 351.491 0.431 10 30 FCEERP CC(=O)NC[C@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000472751481 250179354 /nfs/dbraw/zinc/17/93/54/250179354.db2.gz PGRPDXSXJFPECI-BGYRXZFFSA-N 2 0 362.518 0.686 10 30 FCEERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329072938 488965775 /nfs/dbraw/zinc/96/57/75/488965775.db2.gz ZTEPNUWAHMWOQT-IKGGRYGDSA-N 2 0 354.495 0.662 10 30 FCEERP Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000247112068 488481686 /nfs/dbraw/zinc/48/16/86/488481686.db2.gz YKTRVMHLIWMDRD-GOEBONIOSA-N 2 0 374.489 0.918 10 30 FCEERP Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@]4(CC[N@@H+](C)C4)C3)CC2)o1 ZINC000366478189 489187372 /nfs/dbraw/zinc/18/73/72/489187372.db2.gz DCZHIKYKCFNZFV-LJQANCHMSA-N 2 0 372.473 0.531 10 30 FCEERP O=C1CC[C@@H]([NH2+]CC#CC[NH2+][C@H]2CCC(=O)NC23CCC3)C2(CCC2)N1 ZINC000366968731 489200941 /nfs/dbraw/zinc/20/09/41/489200941.db2.gz GUQLJLCRXNCVGU-IYBDPMFKSA-N 2 0 358.486 0.572 10 30 FCEERP CN(CCC#N)C[C@@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000582176562 491801305 /nfs/dbraw/zinc/80/13/05/491801305.db2.gz ABGBMVXYNDALMA-SFHVURJKSA-N 2 0 351.539 0.733 10 30 FCEERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597396350 492035318 /nfs/dbraw/zinc/03/53/18/492035318.db2.gz HGVSEIUDILYXRK-UHFFFAOYSA-N 2 0 351.495 0.528 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650852065 492675723 /nfs/dbraw/zinc/67/57/23/492675723.db2.gz OUDIPCLMFGAMRJ-UHFFFAOYSA-N 2 0 351.495 0.442 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000261624802 528813537 /nfs/dbraw/zinc/81/35/37/528813537.db2.gz CHBOHYOTMSIMHN-HZPDHXFCSA-N 2 0 374.537 0.271 10 30 FCEERP CC[NH+]1CCN([C@H](C)CNC(=[NH+]C)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000261677305 529151768 /nfs/dbraw/zinc/15/17/68/529151768.db2.gz CRJPVDLVVMKQTH-VQIMIIECSA-N 2 0 364.538 0.190 10 30 FCEERP CC[NH+](CC)CCN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000852882308 671528900 /nfs/dbraw/zinc/52/89/00/671528900.db2.gz 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C#CC[NH+]1CCC(C(=O)N(CC)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001581100029 1279385130 /nfs/dbraw/zinc/38/51/30/1279385130.db2.gz PJULZNUIPDARHT-SJLPKXTDSA-N 2 0 362.518 0.637 10 30 FCEERP C=CCOCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001717023216 1287403570 /nfs/dbraw/zinc/40/35/70/1287403570.db2.gz LVGWAZITLMFLIC-YQVWRLOYSA-N 2 0 353.507 0.862 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001582950040 1282057123 /nfs/dbraw/zinc/05/71/23/1282057123.db2.gz MQUBCRRDSMUGJJ-SJLPKXTDSA-N 2 0 362.518 0.589 10 30 FCEERP C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001637962630 1282645782 /nfs/dbraw/zinc/64/57/82/1282645782.db2.gz GLVUDPISQYPLMR-OAHLLOKOSA-N 2 0 354.495 0.903 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001732274676 1288580258 /nfs/dbraw/zinc/58/02/58/1288580258.db2.gz LAZBDLAITISUNA-IXDOHACOSA-N 2 0 363.506 0.575 10 30 FCEERP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001656537957 1291541783 /nfs/dbraw/zinc/54/17/83/1291541783.db2.gz GGKRSXOUVZJHAO-FGTMMUONSA-N 2 0 362.518 0.825 10 30 FCEERP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)Cn2cncc2C)[C@H](C)C1 ZINC001685718392 1292607192 /nfs/dbraw/zinc/60/71/92/1292607192.db2.gz ISXYSRSWLGDNTE-NXHRZFHOSA-N 2 0 371.485 0.500 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001687039007 1292978380 /nfs/dbraw/zinc/97/83/80/1292978380.db2.gz OFOSBSFATGQNNI-ZWKOTPCHSA-N 2 0 362.518 0.684 10 30 FCEERP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001316707926 867413814 /nfs/dbraw/zinc/41/38/14/867413814.db2.gz FQQVFQXXCWRKGP-IKGGRYGDSA-N 2 0 350.507 0.990 10 30 FCEERP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)CC1 ZINC001329597468 872124872 /nfs/dbraw/zinc/12/48/72/872124872.db2.gz WBANAKTVLNZZTL-WMZOPIPTSA-N 2 0 350.507 0.816 10 30 FCEERP C#CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C1CC[NH+](C)CC1 ZINC000930933272 674076455 /nfs/dbraw/zinc/07/64/55/674076455.db2.gz OYURLZGILXCDPK-UHFFFAOYSA-N 2 0 350.507 0.637 10 30 FCEERP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)n1cnc(C#N)n1 ZINC000409615493 230034722 /nfs/dbraw/zinc/03/47/22/230034722.db2.gz CMBPZPLPNBUCIP-HNNXBMFYSA-N 2 0 368.445 0.434 10 30 FCEERP Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000247112074 488481869 /nfs/dbraw/zinc/48/18/69/488481869.db2.gz YKTRVMHLIWMDRD-HOCLYGCPSA-N 2 0 374.489 0.918 10 30 FCEERP C=CCN1CC[C@@H](N(C)CC#CCN(C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000284908340 489316145 /nfs/dbraw/zinc/31/61/45/489316145.db2.gz VDEFFBKSELVGML-QZTJIDSGSA-N 2 0 358.486 0.427 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000561415054 491605671 /nfs/dbraw/zinc/60/56/71/491605671.db2.gz VGXVEZUBUFQDDT-UHFFFAOYSA-N 2 0 350.507 0.991 10 30 FCEERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600723588 491878602 /nfs/dbraw/zinc/87/86/02/491878602.db2.gz CGYBUJMYARPFBE-QZTJIDSGSA-N 2 0 352.523 0.921 10 30 FCEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595984825 491968638 /nfs/dbraw/zinc/96/86/38/491968638.db2.gz DBJBGIVSRGJWTD-HZPDHXFCSA-N 2 0 373.505 0.937 10 30 FCEERP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595986023 491969196 /nfs/dbraw/zinc/96/91/96/491969196.db2.gz HDEMEQUICWQUBZ-UHFFFAOYSA-N 2 0 369.469 0.398 10 30 FCEERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319142 492159614 /nfs/dbraw/zinc/15/96/14/492159614.db2.gz KMKJPXUFMGDODK-IAGOWNOFSA-N 2 0 364.490 0.296 10 30 FCEERP C[C@@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC000599961392 492223461 /nfs/dbraw/zinc/22/34/61/492223461.db2.gz BPUYRNDTEGYKPQ-QAPCUYQASA-N 2 0 371.485 0.705 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676096989 493524669 /nfs/dbraw/zinc/52/46/69/493524669.db2.gz KIAMHQLKNWLFSZ-UHFFFAOYSA-N 2 0 354.414 0.972 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179099506 526373589 /nfs/dbraw/zinc/37/35/89/526373589.db2.gz CMCWRKHEBGMVSC-HUUCEWRRSA-N 2 0 351.495 0.225 10 30 FCEERP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245595272 526384173 /nfs/dbraw/zinc/38/41/73/526384173.db2.gz HIMPPIRFMPULLS-DGCLKSJQSA-N 2 0 373.548 0.789 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261813264 528810914 /nfs/dbraw/zinc/81/09/14/528810914.db2.gz HTWPAQIOJWAVHQ-MRXNPFEDSA-N 2 0 366.554 0.529 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261942037 528812121 /nfs/dbraw/zinc/81/21/21/528812121.db2.gz DRVDUIPVKWFELV-IAGOWNOFSA-N 2 0 360.506 0.746 10 30 FCEERP CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158237521 528814018 /nfs/dbraw/zinc/81/40/18/528814018.db2.gz NAMZDMAOZPSYQL-ARFHVFGLSA-N 2 0 373.567 0.694 10 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C#CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000929172797 1193742509 /nfs/dbraw/zinc/74/25/09/1193742509.db2.gz JOIJIGPJNQJHHF-UHFFFAOYSA-N 2 0 362.518 0.923 10 30 FCEERP CCC(=O)N[C@@H]1CCCN(CC#CCN2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000551700119 1193867389 /nfs/dbraw/zinc/86/73/89/1193867389.db2.gz WYIVCJBEQQGCED-QZTJIDSGSA-N 2 0 362.518 0.971 10 30 FCEERP C#CCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000910887081 1195857698 /nfs/dbraw/zinc/85/76/98/1195857698.db2.gz YZTZSAQIICOCKI-UHFFFAOYSA-N 2 0 369.469 0.286 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CC[NH+](C)CC1 ZINC000910887073 1195858015 /nfs/dbraw/zinc/85/80/15/1195858015.db2.gz YVUNKEQXGJFFLN-FQEVSTJZSA-N 2 0 360.502 0.487 10 30 FCEERP C=C1[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902617 1196384698 /nfs/dbraw/zinc/38/46/98/1196384698.db2.gz MRDVOZPUBRDDOB-XSLAGTTESA-N 2 0 358.486 0.402 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001488967683 1208590019 /nfs/dbraw/zinc/59/00/19/1208590019.db2.gz KRTGIOWEGHEHFP-CGTJXYLNSA-N 2 0 351.491 0.213 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCCOC)[C@@H]2C)CC1 ZINC001489311642 1208786228 /nfs/dbraw/zinc/78/62/28/1208786228.db2.gz HCSUOEXTYAKNKM-AEFFLSMTSA-N 2 0 351.491 0.574 10 30 FCEERP C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867630608 1210018982 /nfs/dbraw/zinc/01/89/82/1210018982.db2.gz ZFFCLKMCXQTXDL-RCCFBDPRSA-N 2 0 364.534 0.999 10 30 FCEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000831552130 1222499357 /nfs/dbraw/zinc/49/93/57/1222499357.db2.gz YPESAZXPIGZXRA-UHFFFAOYSA-N 2 0 360.502 0.631 10 30 FCEERP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413039 1245717766 /nfs/dbraw/zinc/71/77/66/1245717766.db2.gz CJFBATMZRAHYJD-ATLSCFEFSA-N 2 0 372.425 0.165 10 30 FCEERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C[C@H]1C[NH+](C)C ZINC001329830832 1265863822 /nfs/dbraw/zinc/86/38/22/1265863822.db2.gz QDGFAIAJHSXOIT-MDZRGWNJSA-N 2 0 363.506 0.336 10 30 FCEERP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279362553 1260849381 /nfs/dbraw/zinc/84/93/81/1260849381.db2.gz HKSBTALHVKXMOO-IECFSIQFSA-N 2 0 362.518 0.798 10 30 FCEERP C#CCNC(=O)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001483831489 1263447777 /nfs/dbraw/zinc/44/77/77/1263447777.db2.gz YOBYNMKKMKBNPD-HLIPFELVSA-N 2 0 360.502 0.391 10 30 FCEERP C=CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001323860143 1264529957 /nfs/dbraw/zinc/52/99/57/1264529957.db2.gz NYICVKWJYGLAFT-JXXFODFXSA-N 2 0 371.485 0.750 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001513268533 1265007784 /nfs/dbraw/zinc/00/77/84/1265007784.db2.gz XJPIMMKAKNGZNR-SJLPKXTDSA-N 2 0 362.518 0.637 10 30 FCEERP C=C1[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)[C@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001514564941 1265359123 /nfs/dbraw/zinc/35/91/23/1265359123.db2.gz JBZPIERBSPLLGN-BDXSIMOUSA-N 2 0 358.486 0.209 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001334762184 1267165603 /nfs/dbraw/zinc/16/56/03/1267165603.db2.gz GUKSFFAKWWIEJF-LZLYRXPVSA-N 2 0 362.518 0.942 10 30 FCEERP N#CC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC001334822910 1267190222 /nfs/dbraw/zinc/19/02/22/1267190222.db2.gz KRIHFTNNCQBKLA-CALCHBBNSA-N 2 0 359.474 0.176 10 30 FCEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001716806370 1287389797 /nfs/dbraw/zinc/38/97/97/1287389797.db2.gz WVMLSWOVORUWHO-GBESFXJTSA-N 2 0 365.518 0.650 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CCCC2)CC[N@@H+]1C ZINC001716816750 1287390843 /nfs/dbraw/zinc/39/08/43/1287390843.db2.gz AQTCBHOBUASRTF-GVDBMIGSSA-N 2 0 363.506 0.621 10 30 FCEERP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001707102439 1286443474 /nfs/dbraw/zinc/44/34/74/1286443474.db2.gz GLTIQAXVBPZUOD-BBWFWOEESA-N 2 0 363.506 0.717 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001731412579 1288556211 /nfs/dbraw/zinc/55/62/11/1288556211.db2.gz ABTMXQAPLDLMCG-IXDOHACOSA-N 2 0 363.506 0.527 10 30 FCEERP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001656318059 1291508766 /nfs/dbraw/zinc/50/87/66/1291508766.db2.gz ZRFXKMYXMGWTCK-IXDOHACOSA-N 2 0 360.502 0.627 10 30 FCEERP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCOCC1 ZINC001673727334 1292121657 /nfs/dbraw/zinc/12/16/57/1292121657.db2.gz FTHVYLOOKQZULF-JKSUJKDBSA-N 2 0 366.506 0.274 10 30 FCEERP C[NH+](C)CC#CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001687889432 1293026018 /nfs/dbraw/zinc/02/60/18/1293026018.db2.gz XTCIAZFEJWSBHA-RBUKOAKNSA-N 2 0 358.486 0.734 10 30 FCEERP CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CC#CCOC ZINC001264625956 859404800 /nfs/dbraw/zinc/40/48/00/859404800.db2.gz PQSQPTKSLVZNCJ-FGTMMUONSA-N 2 0 351.491 0.574 10 30 FCEERP C=CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001271535535 859965133 /nfs/dbraw/zinc/96/51/33/859965133.db2.gz ZKEBDSUSLKFYOT-BRWVUGGUSA-N 2 0 350.507 0.990 10 30 FCEERP CN(C)C(=O)CNC(N[C@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]C1CCOCC1 ZINC000262317039 229301899 /nfs/dbraw/zinc/30/18/99/229301899.db2.gz QXXWNWZAMMKYAQ-INIZCTEOSA-N 2 0 365.522 0.806 10 30 FCEERP C[C@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC000599961393 492223358 /nfs/dbraw/zinc/22/33/58/492223358.db2.gz BPUYRNDTEGYKPQ-YJBOKZPZSA-N 2 0 371.485 0.705 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000645212403 492878033 /nfs/dbraw/zinc/87/80/33/492878033.db2.gz HJIQVMLYVPARPO-OAHLLOKOSA-N 2 0 351.495 0.788 10 30 FCEERP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676095037 493524011 /nfs/dbraw/zinc/52/40/11/493524011.db2.gz YCHPNPYZLXQYPS-UHFFFAOYSA-N 2 0 362.478 0.540 10 30 FCEERP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261674891 526350703 /nfs/dbraw/zinc/35/07/03/526350703.db2.gz CLJJJZTZEQDOQG-QGZVFWFLSA-N 2 0 351.495 0.275 10 30 FCEERP C[NH+]=C(NCC1(N2CCCCC2)CC[NH+](C)CC1)N[C@@H]1CCC(=O)NC1 ZINC000262824442 526351924 /nfs/dbraw/zinc/35/19/24/526351924.db2.gz ZITTUWALPSEBND-MRXNPFEDSA-N 2 0 364.538 0.380 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261744574 526373146 /nfs/dbraw/zinc/37/31/46/526373146.db2.gz LCNZXMVKPRHWHA-VQIMIIECSA-N 2 0 365.522 0.521 10 30 FCEERP CC[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261735217 528805283 /nfs/dbraw/zinc/80/52/83/528805283.db2.gz JWLZCKUVMUISBU-IBGZPJMESA-N 2 0 364.538 0.192 10 30 FCEERP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001267486801 1181334067 /nfs/dbraw/zinc/33/40/67/1181334067.db2.gz LFRUJVINZJAUJB-BPQIPLTHSA-N 2 0 362.518 0.683 10 30 FCEERP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481093574 1182281645 /nfs/dbraw/zinc/28/16/45/1182281645.db2.gz FLHWKHDKKXHPSV-IXDOHACOSA-N 2 0 363.506 0.527 10 30 FCEERP C#CCN(C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000910886921 1195857927 /nfs/dbraw/zinc/85/79/27/1195857927.db2.gz XQTWLJNIQUBLKI-UHFFFAOYSA-N 2 0 362.518 0.733 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000910887760 1195858332 /nfs/dbraw/zinc/85/83/32/1195858332.db2.gz UHSIZXARBCXXBD-GOSISDBHSA-N 2 0 374.529 0.733 10 30 FCEERP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC#CCOC ZINC001489017174 1208608413 /nfs/dbraw/zinc/60/84/13/1208608413.db2.gz VMRCXBJXLIPCLG-QZTJIDSGSA-N 2 0 351.491 0.431 10 30 FCEERP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001489200195 1208662113 /nfs/dbraw/zinc/66/21/13/1208662113.db2.gz IYEOZQIIJBOABP-FJIDUMEYSA-N 2 0 362.518 0.799 10 30 FCEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000928654936 1211608433 /nfs/dbraw/zinc/60/84/33/1211608433.db2.gz IHVVLEPGIGWWSX-SJLPKXTDSA-N 2 0 360.502 0.533 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C1CC[NH+](C)CC1 ZINC000929791118 1211661638 /nfs/dbraw/zinc/66/16/38/1211661638.db2.gz CECYZFGBYUVTEV-QGZVFWFLSA-N 2 0 362.518 0.779 10 30 FCEERP C=C1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC)C2)[C@H]1C(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000900307511 1217977543 /nfs/dbraw/zinc/97/75/43/1217977543.db2.gz KYHRLYWAQDXAPT-MHORFTMASA-N 2 0 362.518 0.705 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C)CC1 ZINC001281769336 1261189359 /nfs/dbraw/zinc/18/93/59/1261189359.db2.gz IGPSRXLBKWMSSI-SJLPKXTDSA-N 2 0 362.518 0.637 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001282261636 1261393845 /nfs/dbraw/zinc/39/38/45/1261393845.db2.gz XSXSSDVHXNFTNC-SJJHQCBESA-N 2 0 363.506 0.716 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@H]2C)CC1 ZINC001289322582 1262172775 /nfs/dbraw/zinc/17/27/75/1262172775.db2.gz KJGHACBYMIYCQI-SJLPKXTDSA-N 2 0 362.518 0.637 10 30 FCEERP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001479110226 1263168216 /nfs/dbraw/zinc/16/82/16/1263168216.db2.gz GEKBRZNHDJBOLQ-RBSFLKMASA-N 2 0 367.494 0.165 10 30 FCEERP COCC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001479511537 1263236185 /nfs/dbraw/zinc/23/61/85/1263236185.db2.gz RRNSQSCLBCFLCE-ZWKOTPCHSA-N 2 0 359.474 0.050 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001479584879 1263265387 /nfs/dbraw/zinc/26/53/87/1263265387.db2.gz GRTRXVDCWUJVKB-RYRKJORJSA-N 2 0 362.518 0.683 10 30 FCEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1OCC ZINC001316690651 1263422320 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/nfs/dbraw/zinc/48/43/59/1286484359.db2.gz RTHBMFSPRQCHKG-IKGGRYGDSA-N 2 0 362.518 0.683 10 30 FCEERP C=CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001734010524 1288638433 /nfs/dbraw/zinc/63/84/33/1288638433.db2.gz GDMDMTMAQVXWQZ-RDHHWEPZSA-N 2 0 350.507 0.988 10 30 FCEERP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001700937904 1289616003 /nfs/dbraw/zinc/61/60/03/1289616003.db2.gz OVLWCAPPYHXGTN-KBRIMQKVSA-N 2 0 362.449 0.946 10 30 FCEERP C[NH+](C)CCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001656253744 1291503023 /nfs/dbraw/zinc/50/30/23/1291503023.db2.gz CLXULUQRWJAUGI-ZWKOTPCHSA-N 2 0 371.485 0.552 10 30 FCEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1cnn(C)c1 ZINC001656417581 1291522750 /nfs/dbraw/zinc/52/27/50/1291522750.db2.gz YEVUEVONEWTZQV-NSHGMRRFSA-N 2 0 355.486 0.813 10 30 FCEERP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001264564496 859386821 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10 30 FCEERP CC(C)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)N1CC[NH+](C)CC1 ZINC000600727727 491879364 /nfs/dbraw/zinc/87/93/64/491879364.db2.gz RBODPXQVSDLJPW-ROUUACIJSA-N 2 0 352.523 0.919 10 30 FCEERP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262776308 526351906 /nfs/dbraw/zinc/35/19/06/526351906.db2.gz JHQZALZIIMDJPG-HNNXBMFYSA-N 2 0 351.495 0.417 10 30 FCEERP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000262006012 526373769 /nfs/dbraw/zinc/37/37/69/526373769.db2.gz VQHCHPFDHBMELO-IAGOWNOFSA-N 2 0 359.522 0.486 10 30 FCEERP C([C@@H]1CO1)[NH+](C[C@@H]1CO1)C[C@H]1CCC[C@@H](C[N@@H+](C[C@@H]2CO2)C[C@H]2CO2)C1 ZINC000255975695 527494149 /nfs/dbraw/zinc/49/41/49/527494149.db2.gz HASUCEDGKYJBDC-WMDIELAYSA-N 2 0 366.502 0.992 10 30 FCEERP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCC(=O)NC1 ZINC000262803724 528803499 /nfs/dbraw/zinc/80/34/99/528803499.db2.gz RUZGOPLNOHXAEL-HNNXBMFYSA-N 2 0 351.495 0.465 10 30 FCEERP CC(C)[NH+](CC#CC[N@H+](C[C@H]1CCC(=O)N1)C(C)C)C[C@@H]1CCC(=O)N1 ZINC000412071780 528856901 /nfs/dbraw/zinc/85/69/01/528856901.db2.gz HWSXQVIRDPBXKE-HDICACEKSA-N 2 0 362.518 0.968 10 30 FCEERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C1 ZINC000181562443 529050903 /nfs/dbraw/zinc/05/09/03/529050903.db2.gz RDSNRIZKILUJRO-SFHVURJKSA-N 2 0 365.522 0.475 10 30 FCEERP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000303975178 674574011 /nfs/dbraw/zinc/57/40/11/674574011.db2.gz ISKNTZHGOLFTAD-HNNXBMFYSA-N 2 0 355.483 0.622 10 30 FCEERP C#CCN(C)CCC[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905273757 666014884 /nfs/dbraw/zinc/01/48/84/666014884.db2.gz MKCKTQWTHSOUGO-OAHLLOKOSA-N 2 0 359.536 0.533 10 30 FCEERP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCCN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000871240087 672537955 /nfs/dbraw/zinc/53/79/55/672537955.db2.gz TUGQZVJKFBNZMT-KRWDZBQOSA-N 2 0 350.507 0.919 10 30 FCEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876980330 672991480 /nfs/dbraw/zinc/99/14/80/672991480.db2.gz FVTDDKQMSJBDIV-UONOGXRCSA-N 2 0 366.897 0.995 10 30 FCEERP C#CCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000929464162 673957387 /nfs/dbraw/zinc/95/73/87/673957387.db2.gz BXCNRHUDINKSRD-SFHVURJKSA-N 2 0 366.531 0.096 10 30 FCEERP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268663870 1187754278 /nfs/dbraw/zinc/75/42/78/1187754278.db2.gz PPCLZJNEZRLNFI-NXHRZFHOSA-N 2 0 358.486 0.728 10 30 FCEERP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]CC(=O)NCC#N ZINC001270526842 1188187737 /nfs/dbraw/zinc/18/77/37/1188187737.db2.gz WQHAGZPWAKUSAD-NXHRZFHOSA-N 2 0 371.485 0.313 10 30 FCEERP C#CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910882341 1195856699 /nfs/dbraw/zinc/85/66/99/1195856699.db2.gz DBKBEXHDUZXZEB-AEFFLSMTSA-N 2 0 360.502 0.485 10 30 FCEERP C=C1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000912049762 1196328508 /nfs/dbraw/zinc/32/85/08/1196328508.db2.gz XBLRZUCDAOHZSJ-GVLSGGHMSA-N 2 0 362.518 0.701 10 30 FCEERP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C#N)C1 ZINC000912535940 1196349994 /nfs/dbraw/zinc/34/99/94/1196349994.db2.gz PFFNLEWFSJPTIZ-BRWVUGGUSA-N 2 0 361.490 0.233 10 30 FCEERP C#CCC[NH+]1CCN(c2cncc(N3CC[NH+](CCC#C)CC3)n2)CC1 ZINC000804429421 1201321371 /nfs/dbraw/zinc/32/13/71/1201321371.db2.gz DEJHDIKMRGVMHN-UHFFFAOYSA-N 2 0 352.486 0.767 10 30 FCEERP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001489206509 1208670288 /nfs/dbraw/zinc/67/02/88/1208670288.db2.gz SNYDJVQBIZHJFL-MSOLQXFVSA-N 2 0 362.518 0.801 10 30 FCEERP O=C(C#CC1CC[NH2+]CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000852872662 1209571935 /nfs/dbraw/zinc/57/19/35/1209571935.db2.gz PTUBAPBQVFAXFV-UHFFFAOYSA-N 2 0 354.498 0.923 10 30 FCEERP C#CCN(C(=O)C(=O)NC1CC[NH+](CCCC)CC1)C1CC[NH+](C)CC1 ZINC000929834687 1211664256 /nfs/dbraw/zinc/66/42/56/1211664256.db2.gz ODDBNOCDRRPPJK-UHFFFAOYSA-N 2 0 362.518 0.923 10 30 FCEERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)C[C@H]1C[NH+](C)C ZINC001119006477 1221854449 /nfs/dbraw/zinc/85/44/49/1221854449.db2.gz KRMDNVIVHBOSFQ-IAGOWNOFSA-N 2 0 363.506 0.336 10 30 FCEERP C#CCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000919517368 1245606330 /nfs/dbraw/zinc/60/63/30/1245606330.db2.gz PMEKCWDKSVGZGQ-MRXNPFEDSA-N 2 0 363.506 0.313 10 30 FCEERP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001336877554 1260244571 /nfs/dbraw/zinc/24/45/71/1260244571.db2.gz RKPSBYQPPYKVEJ-UHFFFAOYSA-N 2 0 357.502 0.846 10 30 FCEERP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001479672774 1263337099 /nfs/dbraw/zinc/33/70/99/1263337099.db2.gz OMTOLKSYMHXESL-BBWFWOEESA-N 2 0 360.502 0.553 10 30 FCEERP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316707765 1263432682 /nfs/dbraw/zinc/43/26/82/1263432682.db2.gz GCIXCDNQDHCEFH-IKGGRYGDSA-N 2 0 362.518 0.990 10 30 FCEERP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001484849547 1263490541 /nfs/dbraw/zinc/49/05/41/1263490541.db2.gz XMWFZXVUKRYOAI-SVFBPWRDSA-N 2 0 355.482 0.908 10 30 FCEERP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001715995236 1287367886 /nfs/dbraw/zinc/36/78/86/1287367886.db2.gz PPCLZJNEZRLNFI-JQHSSLGASA-N 2 0 358.486 0.728 10 30 FCEERP C#CCNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001716883658 1287392206 /nfs/dbraw/zinc/39/22/06/1287392206.db2.gz CHZSILNNDUUJMZ-DLBZAZTESA-N 2 0 362.518 0.684 10 30 FCEERP C=CCOCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001717252885 1287414082 /nfs/dbraw/zinc/41/40/82/1287414082.db2.gz NOLGEEGAPGESFM-YQVWRLOYSA-N 2 0 353.507 0.862 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001583768808 1282109889 /nfs/dbraw/zinc/10/98/89/1282109889.db2.gz LJTRSRFIJMEAMT-BPQIPLTHSA-N 2 0 362.518 0.683 10 30 FCEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001707221787 1287067377 /nfs/dbraw/zinc/06/73/77/1287067377.db2.gz SZVBAPZAURLXNC-NXHRZFHOSA-N 2 0 362.518 0.799 10 30 FCEERP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001731486865 1288558584 /nfs/dbraw/zinc/55/85/84/1288558584.db2.gz XLIXGQQRYRGQKT-XDNAFOTISA-N 2 0 369.469 0.208 10 30 FCEERP C=CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001733829965 1288632635 /nfs/dbraw/zinc/63/26/35/1288632635.db2.gz GFTWARFSRGJFTP-BZUAXINKSA-N 2 0 366.506 0.272 10 30 FCEERP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001656354026 1291513587 /nfs/dbraw/zinc/51/35/87/1291513587.db2.gz MSOJRYDZMWMWSK-DLBZAZTESA-N 2 0 350.507 0.895 10 30 FCEERP C=CCNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277397894 861860186 /nfs/dbraw/zinc/86/01/86/861860186.db2.gz XZAFFQWQFGWBEJ-HLLBOEOZSA-N 2 0 350.507 0.940 10 30 FCEERP C=CCNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277397892 861860590 /nfs/dbraw/zinc/86/05/90/861860590.db2.gz XZAFFQWQFGWBEJ-BFYDXBDKSA-N 2 0 350.507 0.940 10 30 FCEERP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CC#CCOC ZINC001263966649 859258136 /nfs/dbraw/zinc/25/81/36/859258136.db2.gz QADPNEDESTVIAK-BRSBDYLESA-N 2 0 351.491 0.430 10 30 FCEERP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001264562715 859386249 /nfs/dbraw/zinc/38/62/49/859386249.db2.gz NVYVTOLZKLMKRB-ZACQAIPSSA-N 2 0 350.507 0.683 10 30 FCEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](O)COC)[C@@H]2CC)CC1 ZINC001264627118 859406513 /nfs/dbraw/zinc/40/65/13/859406513.db2.gz GETVKPKXYNPLEM-OKZBNKHCSA-N 2 0 351.491 0.308 10 30 FCEERP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001280050341 863218770 /nfs/dbraw/zinc/21/87/70/863218770.db2.gz CSCFTONVQVVOSP-IXDOHACOSA-N 2 0 350.507 0.847 10 30 FCEERP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317109939 867521160 /nfs/dbraw/zinc/52/11/60/867521160.db2.gz SCWJCIWKWIRBJP-WCXIOVBPSA-N 2 0 350.507 0.988 10 30 FCEERP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000595278371 491911546 /nfs/dbraw/zinc/91/15/46/491911546.db2.gz NNLCUWHCTJFWJR-GOSISDBHSA-N 2 0 373.501 0.938 10 30 FCEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C(C)C ZINC000659701854 493262177 /nfs/dbraw/zinc/26/21/77/493262177.db2.gz LFJMJJVFMRGMMQ-BZUAXINKSA-N 2 0 354.470 0.699 10 30 FCEERP C(#CC[N@H+]1CC[C@@H](Cn2ccnn2)C1)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139338 493410780 /nfs/dbraw/zinc/41/07/80/493410780.db2.gz HRHBPGYEABKALE-QZTJIDSGSA-N 2 0 354.462 0.217 10 30 FCEERP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668836451 493418478 /nfs/dbraw/zinc/41/84/78/493418478.db2.gz ZAHPEFDJGHUEAO-QGZVFWFLSA-N 2 0 366.506 0.322 10 30 FCEERP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261841835 526349825 /nfs/dbraw/zinc/34/98/25/526349825.db2.gz WQQZJILNCRYNAT-MRXNPFEDSA-N 2 0 364.494 0.480 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000179206154 528812900 /nfs/dbraw/zinc/81/29/00/528812900.db2.gz RNLMWRDSBGDIEX-JKSUJKDBSA-N 2 0 374.537 0.271 10 30 FCEERP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCN(Cc2ccon2)CC1 ZINC000261678732 528814550 /nfs/dbraw/zinc/81/45/50/528814550.db2.gz CVDVWXIOWCYZHD-KRWDZBQOSA-N 2 0 363.510 0.004 10 30 FCEERP C#CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000923198645 667811353 /nfs/dbraw/zinc/81/13/53/667811353.db2.gz JIBYEHJRQTUODS-KRWDZBQOSA-N 3 0 351.539 0.997 10 30 FCEERP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH2+]CC(=O)NCC#N)cc2)CC[N@@H+]1C ZINC001267938197 1183163926 /nfs/dbraw/zinc/16/39/26/1183163926.db2.gz NWGVIQPJXHGABE-ZWKOTPCHSA-N 2 0 371.485 0.762 10 30 FCEERP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 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491700928 /nfs/dbraw/zinc/70/09/28/491700928.db2.gz LUEWRWGILGOPSV-XBMUEBEBSA-N 2 0 373.501 0.841 10 30 FCEERP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319143 492159538 /nfs/dbraw/zinc/15/95/38/492159538.db2.gz KMKJPXUFMGDODK-IRXDYDNUSA-N 2 0 364.490 0.296 10 30 FCEERP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261652812 526356206 /nfs/dbraw/zinc/35/62/06/526356206.db2.gz ACPNFVWOZDXDTM-QGZVFWFLSA-N 2 0 363.510 0.006 10 30 FCEERP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000245595273 526383881 /nfs/dbraw/zinc/38/38/81/526383881.db2.gz HIMPPIRFMPULLS-WCQYABFASA-N 2 0 373.548 0.789 10 30 FCEERP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000261624807 528813637 /nfs/dbraw/zinc/81/36/37/528813637.db2.gz CHBOHYOTMSIMHN-JKSUJKDBSA-N 2 0 374.537 0.271 10 30 FCEERP C#CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000910886511 666288679 /nfs/dbraw/zinc/28/86/79/666288679.db2.gz MOHLAWFGABKMOG-UHFFFAOYSA-N 2 0 350.507 0.589 10 30 FCEERP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C[NH+](C)C ZINC000867589012 672343049 /nfs/dbraw/zinc/34/30/49/672343049.db2.gz BKXXPXYMGGVYQL-CHWSQXEVSA-N 2 0 356.517 0.980 10 30 FCEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001746160885 1192252694 /nfs/dbraw/zinc/25/26/94/1192252694.db2.gz QPXRQEDZKBOABV-KBAYOESNSA-N 2 0 362.518 0.683 10 30 FCEERP C#CCN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C1CC[NH+](C)CC1 ZINC000929154226 1192867911 /nfs/dbraw/zinc/86/79/11/1192867911.db2.gz JMERJPOSICTXMO-UHFFFAOYSA-N 2 0 362.518 0.923 10 30 FCEERP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001481231732 1182926601 /nfs/dbraw/zinc/92/66/01/1182926601.db2.gz NDBNKTOYBAGSHR-QLFBSQMISA-N 2 0 367.494 0.165 10 30 FCEERP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)NCC#N)C3)CC2)CC[N@@H+]1C ZINC001482069234 1187607959 /nfs/dbraw/zinc/60/79/59/1187607959.db2.gz VPLFQHDJCXITRP-HZPDHXFCSA-N 2 0 361.490 0.281 10 30 FCEERP C=C1[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902616 1196384197 /nfs/dbraw/zinc/38/41/97/1196384197.db2.gz MRDVOZPUBRDDOB-XLAORIBOSA-N 2 0 358.486 0.402 10 30 FCEERP O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000852891484 1209573800 /nfs/dbraw/zinc/57/38/00/1209573800.db2.gz RNIVMERJVUILLE-UHFFFAOYSA-N 2 0 356.470 0.912 10 30 FCEERP C#CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867619149 1210017795 /nfs/dbraw/zinc/01/77/95/1210017795.db2.gz DRXWQLUNRCJKCX-KZNAEPCWSA-N 2 0 362.518 0.446 10 30 FCEERP C=C1[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000900708605 1218029138 /nfs/dbraw/zinc/02/91/38/1218029138.db2.gz CXAKXDIFVGEBDU-MHORFTMASA-N 2 0 362.518 0.609 10 30 FCEERP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000900830845 1218043973 /nfs/dbraw/zinc/04/39/73/1218043973.db2.gz OKNRWNBDKPCXFE-RTNWTXRISA-N 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