smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)ONC(=[NH2+])c2ccncc2)cc1[N+](=O)[O-] ZINC000004913720 181172238 /nfs/dbraw/zinc/17/22/38/181172238.db2.gz IXXQCIVDYDUORC-UHFFFAOYSA-N 1 2 316.273 1.476 50 30 DDEALO Cn1cc[nH+]c1CN1CCCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000069951567 406796969 /nfs/dbraw/zinc/79/69/69/406796969.db2.gz YDPRGZYBBTVNGE-UHFFFAOYSA-N 1 2 323.400 1.640 50 30 DDEALO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000071824944 406847541 /nfs/dbraw/zinc/84/75/41/406847541.db2.gz FHQYUDWGYMEQOF-HOTGVXAUSA-N 1 2 314.433 1.815 50 30 DDEALO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000071824944 406847542 /nfs/dbraw/zinc/84/75/42/406847542.db2.gz FHQYUDWGYMEQOF-HOTGVXAUSA-N 1 2 314.433 1.815 50 30 DDEALO Cc1c(C#N)c(=O)[nH]cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077321555 406984645 /nfs/dbraw/zinc/98/46/45/406984645.db2.gz DYJHDUASUUYKQP-LLVKDONJSA-N 1 2 311.345 1.710 50 30 DDEALO C=CCn1cc(CN2Cc3[nH+]c[nH]c3C[C@@H]2C(=O)OC)c(C)n1 ZINC000055211284 407198386 /nfs/dbraw/zinc/19/83/86/407198386.db2.gz JBVWUMSYQAIAEX-OAHLLOKOSA-N 1 2 315.377 1.201 50 30 DDEALO C=CCn1cc(CN2Cc3[nH]c[nH+]c3C[C@@H]2C(=O)OC)c(C)n1 ZINC000055211284 407198388 /nfs/dbraw/zinc/19/83/88/407198388.db2.gz JBVWUMSYQAIAEX-OAHLLOKOSA-N 1 2 315.377 1.201 50 30 DDEALO C=CCC[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000096473665 407270543 /nfs/dbraw/zinc/27/05/43/407270543.db2.gz SXFBNYBYBDRPIQ-KRWDZBQOSA-N 1 2 313.401 1.530 50 30 DDEALO C=CCC[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000096473665 407270545 /nfs/dbraw/zinc/27/05/45/407270545.db2.gz SXFBNYBYBDRPIQ-KRWDZBQOSA-N 1 2 313.401 1.530 50 30 DDEALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1c[nH]c(C#N)c1)C2 ZINC000426406326 419460041 /nfs/dbraw/zinc/46/00/41/419460041.db2.gz RGHKFFGHTQKZQS-UHFFFAOYSA-N 1 2 312.377 1.125 50 30 DDEALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1c[nH]c(C#N)c1)C2 ZINC000426406326 419460047 /nfs/dbraw/zinc/46/00/47/419460047.db2.gz RGHKFFGHTQKZQS-UHFFFAOYSA-N 1 2 312.377 1.125 50 30 DDEALO CCCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080907696 519876912 /nfs/dbraw/zinc/87/69/12/519876912.db2.gz UMNJTPWHORNGTK-MRXNPFEDSA-N 1 2 300.406 1.395 50 30 DDEALO Cn1c[nH+]c2c1CCN(CC(=O)NC1(C#N)CCCCC1)C2 ZINC000071878966 353193828 /nfs/dbraw/zinc/19/38/28/353193828.db2.gz DVOMQKKKDIBULO-UHFFFAOYSA-N 1 2 301.394 1.121 50 30 DDEALO N#Cc1cccnc1NC[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000065523352 184359121 /nfs/dbraw/zinc/35/91/21/184359121.db2.gz HKCUUVNHGYYUOA-LBPRGKRZSA-N 1 2 324.392 1.209 50 30 DDEALO N#Cc1cccnc1NC[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000065523352 184359122 /nfs/dbraw/zinc/35/91/22/184359122.db2.gz HKCUUVNHGYYUOA-LBPRGKRZSA-N 1 2 324.392 1.209 50 30 DDEALO C=CCn1cc(CN2Cc3[nH+]c[nH]c3C[C@H]2C(=O)OC)c(C)n1 ZINC000055211285 407197799 /nfs/dbraw/zinc/19/77/99/407197799.db2.gz JBVWUMSYQAIAEX-HNNXBMFYSA-N 1 2 315.377 1.201 50 30 DDEALO C=CCn1cc(CN2Cc3[nH]c[nH+]c3C[C@H]2C(=O)OC)c(C)n1 ZINC000055211285 407197802 /nfs/dbraw/zinc/19/78/02/407197802.db2.gz JBVWUMSYQAIAEX-HNNXBMFYSA-N 1 2 315.377 1.201 50 30 DDEALO CC(C)[C@@H](C[NH+]1CCOCC1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000097014953 407275438 /nfs/dbraw/zinc/27/54/38/407275438.db2.gz YEAGONGEVTVHHI-CYBMUJFWSA-N 1 2 319.365 1.630 50 30 DDEALO Cc1noc(C)c1CN(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000097199733 407286868 /nfs/dbraw/zinc/28/68/68/407286868.db2.gz WLAQLCAZTXDAET-UHFFFAOYSA-N 1 2 311.349 1.981 50 30 DDEALO CN(Cc1cccc(C#N)c1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000106905873 407365709 /nfs/dbraw/zinc/36/57/09/407365709.db2.gz NHTQHFPNZMNLEO-INIZCTEOSA-N 1 2 323.400 1.946 50 30 DDEALO CN(Cc1cccc(C#N)c1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000106905873 407365711 /nfs/dbraw/zinc/36/57/11/407365711.db2.gz NHTQHFPNZMNLEO-INIZCTEOSA-N 1 2 323.400 1.946 50 30 DDEALO NS(=O)(=O)c1ccc(C/[NH+]=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103719940 418496810 /nfs/dbraw/zinc/49/68/10/418496810.db2.gz JMVPTEKYYMKVFR-SXGWCWSVSA-N 1 2 319.342 1.861 50 30 DDEALO COCCN(C)c1ccc(/C=C\C(=O)c2ccn(C)n2)c[nH+]1 ZINC000606445627 422459330 /nfs/dbraw/zinc/45/93/30/422459330.db2.gz WGIWMDNELFUXHF-XQRVVYSFSA-N 1 2 300.362 1.794 50 30 DDEALO C#Cc1ccc(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1 ZINC000585122241 771953078 /nfs/dbraw/zinc/95/30/78/771953078.db2.gz SGFLZGPNRWISEM-MRXNPFEDSA-N 1 2 323.396 1.452 50 30 DDEALO C[C@@H]1CC[C@@H](CO)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000095436523 185365217 /nfs/dbraw/zinc/36/52/17/185365217.db2.gz FRVFQLZZVHCJQZ-UKRRQHHQSA-N 1 2 322.430 1.425 50 30 DDEALO C[C@@H]1CC[C@@H](CO)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000095436523 185365218 /nfs/dbraw/zinc/36/52/18/185365218.db2.gz FRVFQLZZVHCJQZ-UKRRQHHQSA-N 1 2 322.430 1.425 50 30 DDEALO c1ccc2sc(NC3=[NH+]CN(C[C@H]4CCCO4)CN3)nc2c1 ZINC000019324940 182115843 /nfs/dbraw/zinc/11/58/43/182115843.db2.gz KGWMFFXIVJGWDT-LLVKDONJSA-N 1 2 317.418 1.873 50 30 DDEALO NC(=[NH2+])NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000000130990 406622943 /nfs/dbraw/zinc/62/29/43/406622943.db2.gz HKNBHJHCSBABSI-RQZCQDPDSA-N 1 2 318.358 1.315 50 30 DDEALO Cc1cc(N2CCCC2)nc(NCC[NH+]2CCOCC2)c1C#N ZINC000071283509 406835528 /nfs/dbraw/zinc/83/55/28/406835528.db2.gz PRRSEOSWMNJPQQ-UHFFFAOYSA-N 1 2 315.421 1.606 50 30 DDEALO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000014193242 406873077 /nfs/dbraw/zinc/87/30/77/406873077.db2.gz JFLJVWOYQISZIR-UHFFFAOYSA-N 1 2 307.375 1.397 50 30 DDEALO N#Cc1c(N)n(CC[NH+]2CCOCC2)c(=S)c2c1CCCC2 ZINC000020623256 406887367 /nfs/dbraw/zinc/88/73/67/406887367.db2.gz OEDQEILVYFBNGX-UHFFFAOYSA-N 1 2 318.446 1.882 50 30 DDEALO O=C(NCC#CC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000075164835 406926193 /nfs/dbraw/zinc/92/61/93/406926193.db2.gz YLUAHBYBBMATMM-UHFFFAOYSA-N 1 2 316.445 1.655 50 30 DDEALO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000096000328 407222840 /nfs/dbraw/zinc/22/28/40/407222840.db2.gz UWEJVNGDDMEFDQ-UHFFFAOYSA-N 1 2 319.390 1.284 50 30 DDEALO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000096492588 407272421 /nfs/dbraw/zinc/27/24/21/407272421.db2.gz LWZGAEXUGPZSCF-UHFFFAOYSA-N 1 2 318.402 1.889 50 30 DDEALO CCC1N=NC(=S)N1[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000254487379 407464814 /nfs/dbraw/zinc/46/48/14/407464814.db2.gz GVWCLUPFZLWMFH-UHFFFAOYSA-N 1 2 317.418 1.848 50 30 DDEALO C=CCn1nc(C)c(C[N@H+]2CCn3nc([C@H](C)O)cc3C2)c1C ZINC000219955169 407535671 /nfs/dbraw/zinc/53/56/71/407535671.db2.gz PISMNMMCMTXFHC-AWEZNQCLSA-N 1 2 315.421 1.952 50 30 DDEALO C=CCn1nc(C)c(C[N@@H+]2CCn3nc([C@H](C)O)cc3C2)c1C ZINC000219955169 407535673 /nfs/dbraw/zinc/53/56/73/407535673.db2.gz PISMNMMCMTXFHC-AWEZNQCLSA-N 1 2 315.421 1.952 50 30 DDEALO COCCNC(=S)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000013519906 522827890 /nfs/dbraw/zinc/82/78/90/522827890.db2.gz NVDAQEMSJHUARG-UHFFFAOYSA-N 1 2 323.462 1.745 50 30 DDEALO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000088758023 185264254 /nfs/dbraw/zinc/26/42/54/185264254.db2.gz OXMCABHVASQGNN-CQSZACIVSA-N 1 2 313.405 1.086 50 30 DDEALO CS(=O)(=O)Nc1ccc(-c2csc(NC(N)=[NH2+])n2)cc1 ZINC000029456587 406923438 /nfs/dbraw/zinc/92/34/38/406923438.db2.gz CPDYGSUHJNIWNV-UHFFFAOYSA-N 1 2 311.392 1.087 50 30 DDEALO COc1ccc(OCC(=O)ONC(=[NH2+])c2ccncc2)cc1 ZINC000004192081 406722004 /nfs/dbraw/zinc/72/20/04/406722004.db2.gz NUSALDYQJFIFCS-UHFFFAOYSA-N 1 2 301.302 1.333 50 30 DDEALO COCCCNc1c(C#N)c2c(c3nncn31)C[N@H+](C)CC2 ZINC000013691205 406865363 /nfs/dbraw/zinc/86/53/63/406865363.db2.gz VQAAOAQZZAZJBA-UHFFFAOYSA-N 1 2 300.366 1.037 50 30 DDEALO COCCCNc1c(C#N)c2c(c3nncn31)C[N@@H+](C)CC2 ZINC000013691205 406865366 /nfs/dbraw/zinc/86/53/66/406865366.db2.gz VQAAOAQZZAZJBA-UHFFFAOYSA-N 1 2 300.366 1.037 50 30 DDEALO C=C(Br)C[N@H+](CCC(=O)OC)C[C@H]1CCCO1 ZINC000071908409 406866932 /nfs/dbraw/zinc/86/69/32/406866932.db2.gz XVHLSXJYOHJNTF-LLVKDONJSA-N 1 2 306.200 1.939 50 30 DDEALO C=C(Br)C[N@@H+](CCC(=O)OC)C[C@H]1CCCO1 ZINC000071908409 406866934 /nfs/dbraw/zinc/86/69/34/406866934.db2.gz XVHLSXJYOHJNTF-LLVKDONJSA-N 1 2 306.200 1.939 50 30 DDEALO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000075128477 406922768 /nfs/dbraw/zinc/92/27/68/406922768.db2.gz ORLIYFKSYYTZHS-MRXNPFEDSA-N 1 2 323.400 1.946 50 30 DDEALO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000075128477 406922771 /nfs/dbraw/zinc/92/27/71/406922771.db2.gz ORLIYFKSYYTZHS-MRXNPFEDSA-N 1 2 323.400 1.946 50 30 DDEALO N#CCCN(Cc1ccco1)C(=O)CN1CCn2cc[nH+]c2C1 ZINC000097201497 407286852 /nfs/dbraw/zinc/28/68/52/407286852.db2.gz YNSWLZDPASUTLR-UHFFFAOYSA-N 1 2 313.361 1.234 50 30 DDEALO CC[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408524257 418808953 /nfs/dbraw/zinc/80/89/53/418808953.db2.gz RMRZRRUBNHAINQ-LLVKDONJSA-N 1 2 311.363 1.650 50 30 DDEALO CS(=O)(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000095432388 185363429 /nfs/dbraw/zinc/36/34/29/185363429.db2.gz DJYSFJKZTPHCHQ-CYBMUJFWSA-N 1 2 312.822 1.315 50 30 DDEALO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000095432388 185363430 /nfs/dbraw/zinc/36/34/30/185363430.db2.gz DJYSFJKZTPHCHQ-CYBMUJFWSA-N 1 2 312.822 1.315 50 30 DDEALO COc1cccc(OC)c1C(=O)ONC(=[NH2+])c1ccncc1 ZINC000018093496 182092887 /nfs/dbraw/zinc/09/28/87/182092887.db2.gz OZEFPPKPFJGKSL-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO N#Cc1ccc(OCC(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000007798993 406769103 /nfs/dbraw/zinc/76/91/03/406769103.db2.gz BBEQNNVKZBCBON-UHFFFAOYSA-N 1 2 306.325 1.901 50 30 DDEALO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000195578109 407467055 /nfs/dbraw/zinc/46/70/55/407467055.db2.gz VPIGPMYLUDBNKQ-ZFWWWQNUSA-N 1 2 302.374 1.596 50 30 DDEALO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000195578109 407467061 /nfs/dbraw/zinc/46/70/61/407467061.db2.gz VPIGPMYLUDBNKQ-ZFWWWQNUSA-N 1 2 302.374 1.596 50 30 DDEALO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1=O ZINC000084597405 353724854 /nfs/dbraw/zinc/72/48/54/353724854.db2.gz PDFRVJHJPFSWMQ-QGZVFWFLSA-N 1 2 312.373 1.463 50 30 DDEALO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC000084597405 353724855 /nfs/dbraw/zinc/72/48/55/353724855.db2.gz PDFRVJHJPFSWMQ-QGZVFWFLSA-N 1 2 312.373 1.463 50 30 DDEALO C#CC[NH+]1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000040497447 183081937 /nfs/dbraw/zinc/08/19/37/183081937.db2.gz NKTIMVVQMJLABM-UHFFFAOYSA-N 1 2 305.765 1.456 50 30 DDEALO COc1ccc(NC(=S)NN2CC[NH+](C)CC2)cc1OC ZINC000008682690 406792380 /nfs/dbraw/zinc/79/23/80/406792380.db2.gz JNBLZPDIRJXXRL-UHFFFAOYSA-N 1 2 310.423 1.564 50 30 DDEALO C=CC[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)Cc2ccncc2)C1 ZINC000091254948 407181240 /nfs/dbraw/zinc/18/12/40/407181240.db2.gz UMUUXVOVFTXFIX-GOSISDBHSA-N 1 2 317.433 1.691 50 30 DDEALO C=CC[C@@]1(CO)CCCN(C(=O)C[N@H+](C)Cc2ccncc2)C1 ZINC000091254948 407181244 /nfs/dbraw/zinc/18/12/44/407181244.db2.gz UMUUXVOVFTXFIX-GOSISDBHSA-N 1 2 317.433 1.691 50 30 DDEALO C#CC[NH+]1CCN(C(=O)Nc2ccc(SCC)nc2)CC1 ZINC000095981856 407220485 /nfs/dbraw/zinc/22/04/85/407220485.db2.gz DGWMVBUNDAEMSL-UHFFFAOYSA-N 1 2 304.419 1.976 50 30 DDEALO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1COCCN1CC(F)F ZINC000329395392 410274515 /nfs/dbraw/zinc/27/45/15/410274515.db2.gz VPAWGERQCVVEMY-BXKDBHETSA-N 1 2 314.336 1.189 50 30 DDEALO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1COCCN1CC(F)F ZINC000329395392 410274521 /nfs/dbraw/zinc/27/45/21/410274521.db2.gz VPAWGERQCVVEMY-BXKDBHETSA-N 1 2 314.336 1.189 50 30 DDEALO CC(C)(O)C#Cc1ccc(-c2cn(CCn3cc[nH+]c3)nn2)cc1 ZINC000091351117 193044700 /nfs/dbraw/zinc/04/47/00/193044700.db2.gz CPYZBHJALCNZLU-UHFFFAOYSA-N 1 2 321.384 1.964 50 30 DDEALO COc1ccc2oc(=O)cc(C[NH+]3CCN(CC#N)CC3)c2c1 ZINC000020259468 182200948 /nfs/dbraw/zinc/20/09/48/182200948.db2.gz SNSLWYYRWSYDQI-UHFFFAOYSA-N 1 2 313.357 1.443 50 30 biogenic,in-vitro DDEALO N#Cc1ccc(C[NH+]2CCN(Cc3nnnn3C3CC3)CC2)cc1 ZINC000036811208 182844219 /nfs/dbraw/zinc/84/42/19/182844219.db2.gz DHXLWKRUIPWHON-UHFFFAOYSA-N 1 2 323.404 1.197 50 30 DDEALO N#CCCn1ncc2c1nc[nH+]c2NCCNc1ncccn1 ZINC000065519991 526467840 /nfs/dbraw/zinc/46/78/40/526467840.db2.gz FLTVFYPXBSXHAY-UHFFFAOYSA-N 1 2 309.337 1.054 50 30 DDEALO N#Cc1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000003287886 181000871 /nfs/dbraw/zinc/00/08/71/181000871.db2.gz WESGMXHENSZQIA-UHFFFAOYSA-N 1 2 322.368 1.681 50 30 DDEALO CCCN1CNC(Nc2nc(C)c3cccc(OC)c3n2)=[NH+]C1 ZINC000008997446 406800828 /nfs/dbraw/zinc/80/08/28/406800828.db2.gz WYZZUUYSNLXTJH-UHFFFAOYSA-N 1 2 314.393 1.754 50 30 DDEALO CNc1cc(N2CCC[C@@H]2CNc2cc(C#N)ccn2)nc[nH+]1 ZINC000283707767 409200319 /nfs/dbraw/zinc/20/03/19/409200319.db2.gz DLCBGLLPOMXZRC-CYBMUJFWSA-N 1 2 309.377 1.866 50 30 DDEALO CNc1cc(N2CCC[C@@H]2CNc2cc(C#N)ccn2)[nH+]cn1 ZINC000283707767 409200321 /nfs/dbraw/zinc/20/03/21/409200321.db2.gz DLCBGLLPOMXZRC-CYBMUJFWSA-N 1 2 309.377 1.866 50 30 DDEALO Cc1csc(N2CC[N@@H+](CC(=O)N(C)CCC#N)C[C@@H]2C)n1 ZINC000069871313 526379678 /nfs/dbraw/zinc/37/96/78/526379678.db2.gz DYRMJGQQXNIKJC-ZDUSSCGKSA-N 1 2 321.450 1.334 50 30 DDEALO Cc1csc(N2CC[N@H+](CC(=O)N(C)CCC#N)C[C@@H]2C)n1 ZINC000069871313 526379688 /nfs/dbraw/zinc/37/96/88/526379688.db2.gz DYRMJGQQXNIKJC-ZDUSSCGKSA-N 1 2 321.450 1.334 50 30 DDEALO CC(C)(C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088524312 185254872 /nfs/dbraw/zinc/25/48/72/185254872.db2.gz GHGDBMCSSDLMCH-INIZCTEOSA-N 1 2 314.433 1.784 50 30 DDEALO Cn1nc2c(cc1=O)C[N@@H+](Cc1cn3ccccc3c1C#N)CC2 ZINC000072302325 191114850 /nfs/dbraw/zinc/11/48/50/191114850.db2.gz NRYKTXVCQMJWDA-UHFFFAOYSA-N 1 2 319.368 1.463 50 30 DDEALO Cn1nc2c(cc1=O)C[N@H+](Cc1cn3ccccc3c1C#N)CC2 ZINC000072302325 191114851 /nfs/dbraw/zinc/11/48/51/191114851.db2.gz NRYKTXVCQMJWDA-UHFFFAOYSA-N 1 2 319.368 1.463 50 30 DDEALO CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)NCc1ccccc1Cl ZINC000075092370 353346350 /nfs/dbraw/zinc/34/63/50/353346350.db2.gz CPZLPOHUVPEXDQ-NXEZZACHSA-N 1 2 313.785 1.668 50 30 DDEALO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000069741758 406765318 /nfs/dbraw/zinc/76/53/18/406765318.db2.gz FUWPVDDBNFZZKT-ZDUSSCGKSA-N 1 2 315.402 1.919 50 30 DDEALO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000069741758 406765324 /nfs/dbraw/zinc/76/53/24/406765324.db2.gz FUWPVDDBNFZZKT-ZDUSSCGKSA-N 1 2 315.402 1.919 50 30 DDEALO Cc1cc(C(=O)ONC(=[NH2+])COc2ccc([N+](=O)[O-])cc2)no1 ZINC000008536225 406790039 /nfs/dbraw/zinc/79/00/39/406790039.db2.gz NZQFOKQLHDRVBD-UHFFFAOYSA-N 1 2 320.261 1.399 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797351 406844044 /nfs/dbraw/zinc/84/40/44/406844044.db2.gz JJJJSEPVYZWIJK-GDBMZVCRSA-N 1 2 303.410 1.611 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797351 406844048 /nfs/dbraw/zinc/84/40/48/406844048.db2.gz JJJJSEPVYZWIJK-GDBMZVCRSA-N 1 2 303.410 1.611 50 30 DDEALO CC(C)(CNc1cccc(F)c1C#N)[NH+]1CCS(=O)CC1 ZINC000096418721 407263235 /nfs/dbraw/zinc/26/32/35/407263235.db2.gz FTCVMCBPAZVOSG-UHFFFAOYSA-N 1 2 309.410 1.952 50 30 DDEALO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000585125660 422309597 /nfs/dbraw/zinc/30/95/97/422309597.db2.gz AQNJTYQOCJMNCA-MRXNPFEDSA-N 1 2 323.400 1.572 50 30 DDEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1 ZINC000020311840 518864115 /nfs/dbraw/zinc/86/41/15/518864115.db2.gz XTBGCDPQRFYSFL-CQSZACIVSA-N 1 2 304.390 1.793 50 30 DDEALO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000065408916 184339614 /nfs/dbraw/zinc/33/96/14/184339614.db2.gz OEEHXOQEVLDBGP-JTQLQIEISA-N 1 2 324.793 1.775 50 30 DDEALO CC[C@@H](OC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000071839239 406849922 /nfs/dbraw/zinc/84/99/22/406849922.db2.gz JMNAMOGNYSVIQG-MRXNPFEDSA-N 1 2 301.390 1.627 50 30 DDEALO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000195574216 407467515 /nfs/dbraw/zinc/46/75/15/407467515.db2.gz DPQIGTVKLJUUGC-MRXNPFEDSA-N 1 2 322.368 1.494 50 30 DDEALO C[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000076054594 300108378 /nfs/dbraw/zinc/10/83/78/300108378.db2.gz VEMSITWWHXAAHH-LSDHHAIUSA-N 1 2 305.422 1.640 50 30 DDEALO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+]1CCCn3nc(C#N)cc3C1)O2 ZINC000670473495 484851079 /nfs/dbraw/zinc/85/10/79/484851079.db2.gz ORFCQWFDMOFGAU-OAHLLOKOSA-N 1 2 324.388 1.371 50 30 DDEALO Cc1nc2c(c(C)n1)C[C@H](C[N@H+]1CCCn3nc(C#N)cc3C1)O2 ZINC000670473495 484851084 /nfs/dbraw/zinc/85/10/84/484851084.db2.gz ORFCQWFDMOFGAU-OAHLLOKOSA-N 1 2 324.388 1.371 50 30 DDEALO N#CCc1ccc(OC[C@@H](O)C[NH+]2CC(n3cccn3)C2)cc1 ZINC000071877088 353193929 /nfs/dbraw/zinc/19/39/29/353193929.db2.gz XOIBXJAKBXJRKN-INIZCTEOSA-N 1 2 312.373 1.246 50 30 DDEALO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)C[C@H](C)C#N ZINC000106830468 221506103 /nfs/dbraw/zinc/50/61/03/221506103.db2.gz FHQYUDWGYMEQOF-HZPDHXFCSA-N 1 2 314.433 1.815 50 30 DDEALO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)C[C@H](C)C#N ZINC000106830468 221506107 /nfs/dbraw/zinc/50/61/07/221506107.db2.gz FHQYUDWGYMEQOF-HZPDHXFCSA-N 1 2 314.433 1.815 50 30 DDEALO N#Cc1ccnc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000029447786 406923159 /nfs/dbraw/zinc/92/31/59/406923159.db2.gz VGZKPBRUBYDKLF-KRWDZBQOSA-N 1 2 321.384 1.302 50 30 DDEALO C#CC[NH+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000089261736 407128370 /nfs/dbraw/zinc/12/83/70/407128370.db2.gz IEOATBAEWQSQPD-UHFFFAOYSA-N 1 2 313.401 1.035 50 30 DDEALO CS(=O)(=O)CCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000078489046 407031003 /nfs/dbraw/zinc/03/10/03/407031003.db2.gz SEUZSTBGFRMBBQ-UHFFFAOYSA-N 1 2 307.419 1.115 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000252474579 408795660 /nfs/dbraw/zinc/79/56/60/408795660.db2.gz HTDGFFQDVKLWMX-BBRMVZONSA-N 1 2 309.410 1.268 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000252474579 408795662 /nfs/dbraw/zinc/79/56/62/408795662.db2.gz HTDGFFQDVKLWMX-BBRMVZONSA-N 1 2 309.410 1.268 50 30 DDEALO N#CCc1ccc(OC[C@H](O)C[NH+]2CC(n3cccn3)C2)cc1 ZINC000071877089 353194358 /nfs/dbraw/zinc/19/43/58/353194358.db2.gz XOIBXJAKBXJRKN-MRXNPFEDSA-N 1 2 312.373 1.246 50 30 DDEALO O=C(NCC#CC[NH+]1CCOCC1)c1cc(-c2ccco2)on1 ZINC000075164822 406925489 /nfs/dbraw/zinc/92/54/89/406925489.db2.gz FUZPGGMNJUWFEA-UHFFFAOYSA-N 1 2 315.329 1.000 50 30 DDEALO CC(C)CNC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000057380592 407215642 /nfs/dbraw/zinc/21/56/42/407215642.db2.gz PZIPHVJJJFGLST-UHFFFAOYSA-N 1 2 318.396 1.592 50 30 DDEALO N#CCCn1ncc2c1nc[nH+]c2N[C@H](C(N)=O)c1ccccc1 ZINC000097200242 407286326 /nfs/dbraw/zinc/28/63/26/407286326.db2.gz GPPPAPZBFMDLRT-ZDUSSCGKSA-N 1 2 321.344 1.378 50 30 DDEALO CCc1nc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)sc1C ZINC000329002033 410046705 /nfs/dbraw/zinc/04/67/05/410046705.db2.gz XSCHPNXMLUCMQZ-STQMWFEESA-N 1 2 324.450 1.964 50 30 DDEALO CCc1nc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)sc1C ZINC000329002033 410046710 /nfs/dbraw/zinc/04/67/10/410046710.db2.gz XSCHPNXMLUCMQZ-STQMWFEESA-N 1 2 324.450 1.964 50 30 DDEALO N#Cc1ccnc(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000095414803 294979153 /nfs/dbraw/zinc/97/91/53/294979153.db2.gz JOFWSOAUDWQSIE-UHFFFAOYSA-N 1 2 313.317 1.777 50 30 DDEALO C#CCn1cc(C[N@@H+](C)Cc2cnc3nc(C)cc(C)n23)cn1 ZINC000092039334 484013913 /nfs/dbraw/zinc/01/39/13/484013913.db2.gz PUDRDZSLQJCVKC-UHFFFAOYSA-N 1 2 308.389 1.808 50 30 DDEALO C#CCn1cc(C[N@H+](C)Cc2cnc3nc(C)cc(C)n23)cn1 ZINC000092039334 484013915 /nfs/dbraw/zinc/01/39/15/484013915.db2.gz PUDRDZSLQJCVKC-UHFFFAOYSA-N 1 2 308.389 1.808 50 30 DDEALO CCNC(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000069737037 406764027 /nfs/dbraw/zinc/76/40/27/406764027.db2.gz KOSAYEFWNNPRDE-UHFFFAOYSA-N 1 2 306.797 1.470 50 30 DDEALO N#Cc1c2cc(N3CCCC3)[nH+]c(N)c2c(N)nc1N1CCCC1 ZINC000003246073 406717578 /nfs/dbraw/zinc/71/75/78/406717578.db2.gz SSWVPYMSHHEYAB-UHFFFAOYSA-N 1 2 323.404 1.866 50 30 DDEALO CN1CC[NH+](CC/C(=N\O)c2ccc3c(c2)OCCO3)CC1 ZINC000041195316 407006896 /nfs/dbraw/zinc/00/68/96/407006896.db2.gz QGHFSMKVLGJQHV-SAPNQHFASA-N 1 2 305.378 1.274 50 30 DDEALO C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000044818878 418430619 /nfs/dbraw/zinc/43/06/19/418430619.db2.gz QEBNZOSQKRNEIK-HNNXBMFYSA-N 1 2 323.400 1.660 50 30 DDEALO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)o1 ZINC000107355033 418498299 /nfs/dbraw/zinc/49/82/99/418498299.db2.gz QCMIAXFOTQXRTQ-CABCVRRESA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(C[N@H+](C)[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)o1 ZINC000107355033 418498303 /nfs/dbraw/zinc/49/83/03/418498303.db2.gz QCMIAXFOTQXRTQ-CABCVRRESA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(CN(C)[C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)o1 ZINC000107355033 418498304 /nfs/dbraw/zinc/49/83/04/418498304.db2.gz QCMIAXFOTQXRTQ-CABCVRRESA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(CN(C)[C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)o1 ZINC000107355033 418498306 /nfs/dbraw/zinc/49/83/06/418498306.db2.gz QCMIAXFOTQXRTQ-CABCVRRESA-N 1 2 301.394 1.933 50 30 DDEALO C(#CC[N@@H+]1CCO[C@H]2CCC[C@H]21)CN1CCO[C@H]2CCC[C@H]21 ZINC000328586719 563565960 /nfs/dbraw/zinc/56/59/60/563565960.db2.gz DUPJETGRAFIRDR-BDXSIMOUSA-N 1 2 304.434 1.496 50 30 DDEALO C(#CC[N@H+]1CCO[C@H]2CCC[C@H]21)CN1CCO[C@H]2CCC[C@H]21 ZINC000328586719 563565964 /nfs/dbraw/zinc/56/59/64/563565964.db2.gz DUPJETGRAFIRDR-BDXSIMOUSA-N 1 2 304.434 1.496 50 30 DDEALO CCCCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023288262 352183223 /nfs/dbraw/zinc/18/32/23/352183223.db2.gz KGPCUNVTMIRKMU-UHFFFAOYSA-N 1 2 314.433 1.592 50 30 DDEALO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000105792144 194129264 /nfs/dbraw/zinc/12/92/64/194129264.db2.gz NBYZRVJUCPIRDG-UHFFFAOYSA-N 1 2 311.393 1.021 50 30 DDEALO N#Cc1ccc(NC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)nc1 ZINC000065474840 184351386 /nfs/dbraw/zinc/35/13/86/184351386.db2.gz JPHGFKPYLMDKKG-CYBMUJFWSA-N 1 2 324.392 1.209 50 30 DDEALO N#Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)nc1 ZINC000065474840 184351387 /nfs/dbraw/zinc/35/13/87/184351387.db2.gz JPHGFKPYLMDKKG-CYBMUJFWSA-N 1 2 324.392 1.209 50 30 DDEALO Cc1cnn(C2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000069925680 406791763 /nfs/dbraw/zinc/79/17/63/406791763.db2.gz FKOGIOFCPGKMOF-MRXNPFEDSA-N 1 2 312.373 1.360 50 30 DDEALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2cc(C#N)ccn2)CC1 ZINC000071918581 406867934 /nfs/dbraw/zinc/86/79/34/406867934.db2.gz JUARSRHNXACPQA-LBPRGKRZSA-N 1 2 304.419 1.598 50 30 DDEALO N#CCNC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000089883847 407155050 /nfs/dbraw/zinc/15/50/50/407155050.db2.gz JEWUQROWRZYBHT-UHFFFAOYSA-N 1 2 307.357 1.653 50 30 DDEALO Cc1[nH+]c2n(c1C)CCN(CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000097201502 407286469 /nfs/dbraw/zinc/28/64/69/407286469.db2.gz OKBSVJYSVGLVQO-MRXNPFEDSA-N 1 2 303.410 1.370 50 30 DDEALO C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000275876837 408704906 /nfs/dbraw/zinc/70/49/06/408704906.db2.gz WEGPDWBGEQTDGN-LLVKDONJSA-N 1 2 324.222 1.824 50 30 DDEALO C=C[C@H](CO)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000253419538 277911947 /nfs/dbraw/zinc/91/19/47/277911947.db2.gz OQHUVQYYTANZEN-CABCVRRESA-N 1 2 306.431 1.440 50 30 DDEALO C=CC[NH+]1CCN(C(=O)[C@@H]2N(C(C)C)C(=O)C23CCCC3)CC1 ZINC000581821609 761720453 /nfs/dbraw/zinc/72/04/53/761720453.db2.gz HDXLJWPIQABMPW-HNNXBMFYSA-N 1 2 319.449 1.496 50 30 DDEALO C#CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 ZINC000079292931 185163764 /nfs/dbraw/zinc/16/37/64/185163764.db2.gz QQTBJXCQDUFOCD-UHFFFAOYSA-N 1 2 323.400 1.357 50 30 DDEALO C#CC[N@@H+](CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000072609680 191202201 /nfs/dbraw/zinc/20/22/01/191202201.db2.gz QXGPCVOJRSTQRA-MRXNPFEDSA-N 1 2 319.426 1.286 50 30 DDEALO C#CC[N@H+](CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000072609680 191202204 /nfs/dbraw/zinc/20/22/04/191202204.db2.gz QXGPCVOJRSTQRA-MRXNPFEDSA-N 1 2 319.426 1.286 50 30 DDEALO CCOC(=O)N1CC[C@@H]([N@@H+]2CCCn3nc(C#N)cc3C2)C1 ZINC000584894211 354795410 /nfs/dbraw/zinc/79/54/10/354795410.db2.gz VERKHRLHSQDLEP-CYBMUJFWSA-N 1 2 303.366 1.191 50 30 DDEALO CCOC(=O)N1CC[C@@H]([N@H+]2CCCn3nc(C#N)cc3C2)C1 ZINC000584894211 354795414 /nfs/dbraw/zinc/79/54/14/354795414.db2.gz VERKHRLHSQDLEP-CYBMUJFWSA-N 1 2 303.366 1.191 50 30 DDEALO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c(Cl)c1 ZINC000331235122 223195379 /nfs/dbraw/zinc/19/53/79/223195379.db2.gz DQYCIDZXMXBMDX-LBPRGKRZSA-N 1 2 312.797 1.646 50 30 DDEALO C[NH+]1CCN(C(=O)CSc2nc3c(cc2C#N)CCC3)CC1 ZINC000020528748 182227298 /nfs/dbraw/zinc/22/72/98/182227298.db2.gz ZVHKGGWPLUISQN-UHFFFAOYSA-N 1 2 316.430 1.308 50 30 DDEALO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000072270383 406877253 /nfs/dbraw/zinc/87/72/53/406877253.db2.gz ZTCJXZALPHGIHP-CABCVRRESA-N 1 2 302.378 1.098 50 30 DDEALO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000072270383 406877255 /nfs/dbraw/zinc/87/72/55/406877255.db2.gz ZTCJXZALPHGIHP-CABCVRRESA-N 1 2 302.378 1.098 50 30 DDEALO Cc1nnc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1C ZINC000052800776 407157430 /nfs/dbraw/zinc/15/74/30/407157430.db2.gz RHXCGLFJZWZXFR-UHFFFAOYSA-N 1 2 310.405 1.708 50 30 DDEALO Cc1nnc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1C ZINC000052800776 407157432 /nfs/dbraw/zinc/15/74/32/407157432.db2.gz RHXCGLFJZWZXFR-UHFFFAOYSA-N 1 2 310.405 1.708 50 30 DDEALO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCCCC1 ZINC000328875072 409998711 /nfs/dbraw/zinc/99/87/11/409998711.db2.gz ZHNLMPYQAJZZCT-ZIAGYGMSSA-N 1 2 314.451 1.951 50 30 DDEALO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCCCC1 ZINC000328875072 409998714 /nfs/dbraw/zinc/99/87/14/409998714.db2.gz ZHNLMPYQAJZZCT-ZIAGYGMSSA-N 1 2 314.451 1.951 50 30 DDEALO Cc1nnc(CN(C)[C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)n1C ZINC000107505701 418498452 /nfs/dbraw/zinc/49/84/52/418498452.db2.gz ZJYTYMZGTDMTEY-CABCVRRESA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(CN(C)[C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1C ZINC000107505701 418498454 /nfs/dbraw/zinc/49/84/54/418498454.db2.gz ZJYTYMZGTDMTEY-CABCVRRESA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(C[N@H+](C)[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)n1C ZINC000107505701 418498455 /nfs/dbraw/zinc/49/84/55/418498455.db2.gz ZJYTYMZGTDMTEY-CABCVRRESA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(C[N@@H+](C)[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)n1C ZINC000107505701 418498457 /nfs/dbraw/zinc/49/84/57/418498457.db2.gz ZJYTYMZGTDMTEY-CABCVRRESA-N 1 2 315.425 1.073 50 30 DDEALO N#CCCNC(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000022983448 526460628 /nfs/dbraw/zinc/46/06/28/526460628.db2.gz XCUQIYZUIFANKY-UHFFFAOYSA-N 1 2 318.396 1.363 50 30 DDEALO N#CCCNC(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000022983448 526460634 /nfs/dbraw/zinc/46/06/34/526460634.db2.gz XCUQIYZUIFANKY-UHFFFAOYSA-N 1 2 318.396 1.363 50 30 DDEALO Cc1nc(CC(N)=[NH+]OCC(=O)N2CCCCCC2)cs1 ZINC000071966219 526767353 /nfs/dbraw/zinc/76/73/53/526767353.db2.gz MZIIRFJBCLNNCG-UHFFFAOYSA-N 1 2 310.423 1.685 50 30 DDEALO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)s1 ZINC000828322830 759615087 /nfs/dbraw/zinc/61/50/87/759615087.db2.gz JYYYWLAZMSAHRR-LBPRGKRZSA-N 1 2 320.414 1.507 50 30 DDEALO CC(C)(O)C#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)s1 ZINC000828322830 759615096 /nfs/dbraw/zinc/61/50/96/759615096.db2.gz JYYYWLAZMSAHRR-LBPRGKRZSA-N 1 2 320.414 1.507 50 30 DDEALO C=CC[C@]1(CO)CCCN(C(=O)C[N@@H+](C)Cc2cccnc2)C1 ZINC000091818023 193112487 /nfs/dbraw/zinc/11/24/87/193112487.db2.gz DJHBOMATZHYMCV-SFHVURJKSA-N 1 2 317.433 1.691 50 30 DDEALO C=CC[C@]1(CO)CCCN(C(=O)C[N@H+](C)Cc2cccnc2)C1 ZINC000091818023 193112489 /nfs/dbraw/zinc/11/24/89/193112489.db2.gz DJHBOMATZHYMCV-SFHVURJKSA-N 1 2 317.433 1.691 50 30 DDEALO N#Cc1ccc(Cl)cc1NC(=S)NCC[NH+]1CCOCC1 ZINC000019857123 182158599 /nfs/dbraw/zinc/15/85/99/182158599.db2.gz BILGXIAKABNOHV-UHFFFAOYSA-N 1 2 324.837 1.830 50 30 DDEALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000058368125 184109292 /nfs/dbraw/zinc/10/92/92/184109292.db2.gz SKFZAAMELZBYBT-CYBMUJFWSA-N 1 2 324.425 1.395 50 30 DDEALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000058368125 184109294 /nfs/dbraw/zinc/10/92/94/184109294.db2.gz SKFZAAMELZBYBT-CYBMUJFWSA-N 1 2 324.425 1.395 50 30 DDEALO N#CCCCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000058299505 184102724 /nfs/dbraw/zinc/10/27/24/184102724.db2.gz RMHVYPOHYCNVRR-UHFFFAOYSA-N 1 2 301.390 1.879 50 30 DDEALO COCCN1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000069653933 406750236 /nfs/dbraw/zinc/75/02/36/406750236.db2.gz DGIFCYAHMWBWII-UHFFFAOYSA-N 1 2 322.434 1.212 50 30 DDEALO CCNC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013556466 406863280 /nfs/dbraw/zinc/86/32/80/406863280.db2.gz DLAGDHPOWIYYQJ-UHFFFAOYSA-N 1 2 307.419 1.839 50 30 DDEALO Cc1nc(C)c(CO[NH+]=C(N)CN2CCOC(C)(C)C2)s1 ZINC000097009601 407275457 /nfs/dbraw/zinc/27/54/57/407275457.db2.gz JKBPMXNBKFNFHD-UHFFFAOYSA-N 1 2 312.439 1.660 50 30 DDEALO CN(C)c1ccc(CNc2[nH+]cnc3c2cnn3CCC#N)cn1 ZINC000097200367 407286640 /nfs/dbraw/zinc/28/66/40/407286640.db2.gz PHVWUSVMVYGKCR-UHFFFAOYSA-N 1 2 322.376 1.813 50 30 DDEALO COCCNC(=S)NN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000254442105 407464706 /nfs/dbraw/zinc/46/47/06/407464706.db2.gz MORMFMXGUXFXPZ-UHFFFAOYSA-N 1 2 317.418 1.707 50 30 DDEALO CC(=O)C(C(C)=O)=C(N)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019773186 182145420 /nfs/dbraw/zinc/14/54/20/182145420.db2.gz MJZJZJPOYZGFHF-UHFFFAOYSA-N 1 2 301.390 1.153 50 30 DDEALO Cn1cc[nH+]c1CN1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000065610713 184373255 /nfs/dbraw/zinc/37/32/55/184373255.db2.gz ZSHSEMOOGYNASD-UHFFFAOYSA-N 1 2 313.380 1.749 50 30 DDEALO N#Cc1cccnc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000071844452 406852465 /nfs/dbraw/zinc/85/24/65/406852465.db2.gz ZGUWOIPBTCINJL-OAHLLOKOSA-N 1 2 304.419 1.573 50 30 DDEALO C[C@@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1[nH+]ccn1C ZINC000071876901 406859280 /nfs/dbraw/zinc/85/92/80/406859280.db2.gz JDRBUEPHCPTOSP-CABCVRRESA-N 1 2 300.410 1.370 50 30 DDEALO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)C(=O)N(C)C1=O ZINC000054570632 407186946 /nfs/dbraw/zinc/18/69/46/407186946.db2.gz KSSBGGUBDXETOR-UHFFFAOYSA-N 1 2 317.345 1.061 50 30 DDEALO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)C(=O)N(C)C1=O ZINC000054570632 407186948 /nfs/dbraw/zinc/18/69/48/407186948.db2.gz KSSBGGUBDXETOR-UHFFFAOYSA-N 1 2 317.345 1.061 50 30 DDEALO Cc1cc(NCCS(=O)(=O)NCC2CCC2)c(C#N)c(C)[nH+]1 ZINC000096476262 407271071 /nfs/dbraw/zinc/27/10/71/407271071.db2.gz RUQWTXXKUFKTKN-UHFFFAOYSA-N 1 2 322.434 1.702 50 30 DDEALO CCCC(=O)N1CC[N@H+](Cc2ccccc2C#N)C[C@H](O)C1 ZINC000097553272 407300052 /nfs/dbraw/zinc/30/00/52/407300052.db2.gz DDADEOVEGXZNNI-INIZCTEOSA-N 1 2 301.390 1.363 50 30 DDEALO CCCC(=O)N1CC[N@@H+](Cc2ccccc2C#N)C[C@H](O)C1 ZINC000097553272 407300054 /nfs/dbraw/zinc/30/00/54/407300054.db2.gz DDADEOVEGXZNNI-INIZCTEOSA-N 1 2 301.390 1.363 50 30 DDEALO N#Cc1cnc(N2CCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000160411421 408480897 /nfs/dbraw/zinc/48/08/97/408480897.db2.gz KOJNHIUIFBRZRH-ZDUSSCGKSA-N 1 2 306.797 1.908 50 30 DDEALO COc1cncc(N2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)n1 ZINC000095430790 185363046 /nfs/dbraw/zinc/36/30/46/185363046.db2.gz WMGBUUHNGXLCKP-UHFFFAOYSA-N 1 2 324.388 1.695 50 30 DDEALO N#Cc1ccsc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000078788900 353532593 /nfs/dbraw/zinc/53/25/93/353532593.db2.gz CSDZSMHMMYBFKM-STQMWFEESA-N 1 2 305.403 1.291 50 30 DDEALO NS(=O)(=O)c1ccc(C/[NH+]=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001225906 406665883 /nfs/dbraw/zinc/66/58/83/406665883.db2.gz JMVPTEKYYMKVFR-CXUHLZMHSA-N 1 2 319.342 1.861 50 30 DDEALO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069372038 406701819 /nfs/dbraw/zinc/70/18/19/406701819.db2.gz VNKKIBNMXBDVRG-INIZCTEOSA-N 1 2 312.373 1.535 50 30 DDEALO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069372038 406701826 /nfs/dbraw/zinc/70/18/26/406701826.db2.gz VNKKIBNMXBDVRG-INIZCTEOSA-N 1 2 312.373 1.535 50 30 DDEALO N#CC1(NC(=O)CN2CCc3c([nH+]cn3C3CC3)C2)CCCC1 ZINC000069444129 406712091 /nfs/dbraw/zinc/71/20/91/406712091.db2.gz MWNOZJRJIBMFGB-UHFFFAOYSA-N 1 2 313.405 1.529 50 30 DDEALO C[C@H](C#N)CN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045968563 407052047 /nfs/dbraw/zinc/05/20/47/407052047.db2.gz OIGSYIXZAZNKFQ-CYBMUJFWSA-N 1 2 317.393 1.219 50 30 DDEALO N#Cc1c(F)cccc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000096428013 407264753 /nfs/dbraw/zinc/26/47/53/407264753.db2.gz UEXJXGZIEXGGID-UHFFFAOYSA-N 1 2 323.393 1.556 50 30 DDEALO Cc1nc(N)c(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)c[nH+]1 ZINC000328591999 418605791 /nfs/dbraw/zinc/60/57/91/418605791.db2.gz LPBLENHYTWXNTQ-ZDUSSCGKSA-N 1 2 302.309 1.967 50 30 DDEALO C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccn1)[NH+]1CCCCCC1 ZINC000123952636 354036391 /nfs/dbraw/zinc/03/63/91/354036391.db2.gz ABKPNHQZTRHZCB-UONOGXRCSA-N 1 2 314.389 1.993 50 30 DDEALO C=CC[C@@]1(CO)CCCN(c2[nH+]c3c(cc2C(N)=O)CCC3)C1 ZINC000091444563 193056043 /nfs/dbraw/zinc/05/60/43/193056043.db2.gz MUONHZOVOYULMK-GOSISDBHSA-N 1 2 315.417 1.824 50 30 DDEALO CC(C)N1C(=O)CN(C[N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000069454403 406714684 /nfs/dbraw/zinc/71/46/84/406714684.db2.gz YSQFVUGZQSDYGQ-UHFFFAOYSA-N 1 2 300.362 1.620 50 30 DDEALO CC(C)N1C(=O)CN(C[N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000069454403 406714692 /nfs/dbraw/zinc/71/46/92/406714692.db2.gz YSQFVUGZQSDYGQ-UHFFFAOYSA-N 1 2 300.362 1.620 50 30 DDEALO N#Cc1cccc(OCC[NH+]2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000069452821 406715045 /nfs/dbraw/zinc/71/50/45/406715045.db2.gz CKKBRVLWSGSSBO-GOSISDBHSA-N 1 2 315.417 1.734 50 30 DDEALO C[N@@H+]1CCc2c(C#N)c(NC[C@@H]3CCCO3)n3cnnc3c2C1 ZINC000013689220 406865954 /nfs/dbraw/zinc/86/59/54/406865954.db2.gz XRMDOTRLSSGWPY-NSHDSACASA-N 1 2 312.377 1.180 50 30 DDEALO C[N@H+]1CCc2c(C#N)c(NC[C@@H]3CCCO3)n3cnnc3c2C1 ZINC000013689220 406865955 /nfs/dbraw/zinc/86/59/55/406865955.db2.gz XRMDOTRLSSGWPY-NSHDSACASA-N 1 2 312.377 1.180 50 30 DDEALO C=CCNC(=O)CC[N@@H+]1CCN(c2ccccc2)C(=O)[C@H]1C ZINC000244708290 407931573 /nfs/dbraw/zinc/93/15/73/407931573.db2.gz KRBSGFNDYNLRQJ-CQSZACIVSA-N 1 2 301.390 1.416 50 30 DDEALO C=CCNC(=O)CC[N@H+]1CCN(c2ccccc2)C(=O)[C@H]1C ZINC000244708290 407931577 /nfs/dbraw/zinc/93/15/77/407931577.db2.gz KRBSGFNDYNLRQJ-CQSZACIVSA-N 1 2 301.390 1.416 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(c2ncccc2C#N)C[C@H]1C ZINC000241586424 222211955 /nfs/dbraw/zinc/21/19/55/222211955.db2.gz OVXFDBPKIAUPBH-CQSZACIVSA-N 1 2 310.405 1.880 50 30 DDEALO C=CC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000087107031 337377233 /nfs/dbraw/zinc/37/72/33/337377233.db2.gz FBQXNKDZXWZRHQ-CABCVRRESA-N 1 2 322.453 1.289 50 30 DDEALO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)o1 ZINC000084258793 483992941 /nfs/dbraw/zinc/99/29/41/483992941.db2.gz QCMIAXFOTQXRTQ-LSDHHAIUSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)o1 ZINC000084258793 483992949 /nfs/dbraw/zinc/99/29/49/483992949.db2.gz QCMIAXFOTQXRTQ-LSDHHAIUSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)o1 ZINC000084258793 483992955 /nfs/dbraw/zinc/99/29/55/483992955.db2.gz QCMIAXFOTQXRTQ-LSDHHAIUSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)o1 ZINC000084258793 483992962 /nfs/dbraw/zinc/99/29/62/483992962.db2.gz QCMIAXFOTQXRTQ-LSDHHAIUSA-N 1 2 301.394 1.933 50 30 DDEALO NC(=[NH+]OCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCOC1 ZINC000080289462 353600572 /nfs/dbraw/zinc/60/05/72/353600572.db2.gz HGCNUGFSEHPYOE-DLUQRMLASA-N 1 2 321.421 1.397 50 30 DDEALO COc1nc2ccn(Cc3ccc[nH+]c3N)c(=O)c2cc1C#N ZINC000071278720 406836339 /nfs/dbraw/zinc/83/63/39/406836339.db2.gz QHZXSUUJXFMAOF-UHFFFAOYSA-N 1 2 307.313 1.302 50 30 DDEALO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCn2cccn2)CC1 ZINC000071824720 406847615 /nfs/dbraw/zinc/84/76/15/406847615.db2.gz UWNLPGMSRNBWJE-UHFFFAOYSA-N 1 2 312.377 1.442 50 30 DDEALO C=C(C)COc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000055197317 407196641 /nfs/dbraw/zinc/19/66/41/407196641.db2.gz OWJNDCWQGHDONP-UHFFFAOYSA-N 1 2 304.390 1.704 50 30 DDEALO C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)n1cc[nH+]c1 ZINC000055742958 407205868 /nfs/dbraw/zinc/20/58/68/407205868.db2.gz XMDSDDHWAIQBKU-AWEZNQCLSA-N 1 2 324.388 1.450 50 30 DDEALO C=C(C)C[C@@H](C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000185206571 408779844 /nfs/dbraw/zinc/77/98/44/408779844.db2.gz WDSMVNXDHIJLSE-OAHLLOKOSA-N 1 2 317.437 1.317 50 30 DDEALO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000328595899 418605069 /nfs/dbraw/zinc/60/50/69/418605069.db2.gz JPFHJNVXDFPREA-UHFFFAOYSA-N 1 2 323.400 1.827 50 30 DDEALO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000328595899 418605071 /nfs/dbraw/zinc/60/50/71/418605071.db2.gz JPFHJNVXDFPREA-UHFFFAOYSA-N 1 2 323.400 1.827 50 30 DDEALO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000095432440 185363784 /nfs/dbraw/zinc/36/37/84/185363784.db2.gz NSRBLCUDODYOEK-HNNXBMFYSA-N 1 2 306.337 1.443 50 30 DDEALO COc1cc(OC)cc(C(=O)ONC(=[NH2+])c2ccncc2)c1 ZINC000004171330 181081619 /nfs/dbraw/zinc/08/16/19/181081619.db2.gz DHEWUXZIQZOUPI-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000058332019 184106796 /nfs/dbraw/zinc/10/67/96/184106796.db2.gz KPEVOHGNNNUCGC-ZDUSSCGKSA-N 1 2 316.380 1.510 50 30 DDEALO N#CCC[C@H](C#N)C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000071825127 406847178 /nfs/dbraw/zinc/84/71/78/406847178.db2.gz UXAGSBHNNQSXMO-OAHLLOKOSA-N 1 2 311.389 1.673 50 30 DDEALO N#CCC[C@H](C#N)C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000071825127 406847181 /nfs/dbraw/zinc/84/71/81/406847181.db2.gz UXAGSBHNNQSXMO-OAHLLOKOSA-N 1 2 311.389 1.673 50 30 DDEALO N#Cc1c(C[NH+]2CCN(c3ncccn3)CC2)cn2ccccc12 ZINC000040480381 407003092 /nfs/dbraw/zinc/00/30/92/407003092.db2.gz XKYIOWCSWPVVHT-UHFFFAOYSA-N 1 2 318.384 1.923 50 30 DDEALO C#CC[NH+]1CCN(C(=O)CNc2cc(F)c(F)cc2F)CC1 ZINC000097236952 407289402 /nfs/dbraw/zinc/28/94/02/407289402.db2.gz ULHJECHEGYSYOB-UHFFFAOYSA-N 1 2 311.307 1.293 50 30 DDEALO CC#CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000241157229 407910121 /nfs/dbraw/zinc/91/01/21/407910121.db2.gz JVXQOSUNPWMVJO-HNNXBMFYSA-N 1 2 316.405 1.157 50 30 DDEALO CC#CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000241157229 407910125 /nfs/dbraw/zinc/91/01/25/407910125.db2.gz JVXQOSUNPWMVJO-HNNXBMFYSA-N 1 2 316.405 1.157 50 30 DDEALO C[N@@H+]1CCc2c(C#N)c(NCc3ccncc3)n3cnnc3c2C1 ZINC000020714046 277186807 /nfs/dbraw/zinc/18/68/07/277186807.db2.gz WCPONACUTVHUPO-UHFFFAOYSA-N 1 2 319.372 1.596 50 30 DDEALO C[N@H+]1CCc2c(C#N)c(NCc3ccncc3)n3cnnc3c2C1 ZINC000020714046 277186809 /nfs/dbraw/zinc/18/68/09/277186809.db2.gz WCPONACUTVHUPO-UHFFFAOYSA-N 1 2 319.372 1.596 50 30 DDEALO COCCN1CC[NH+](Cc2ccc(C#CC(C)(C)O)s2)CC1 ZINC000670470003 484848515 /nfs/dbraw/zinc/84/85/15/484848515.db2.gz RPCGXHYDFDEGST-UHFFFAOYSA-N 1 2 322.474 1.635 50 30 DDEALO C=CCc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1OC ZINC000014399279 519127839 /nfs/dbraw/zinc/12/78/39/519127839.db2.gz BIHVPAUUBAONCP-UHFFFAOYSA-N 1 2 304.390 1.486 50 30 DDEALO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1noc(-c2ccsc2)n1 ZINC000075607001 353371559 /nfs/dbraw/zinc/37/15/59/353371559.db2.gz ZCXUHAGCJPDGQR-LBPRGKRZSA-N 1 2 316.386 1.512 50 30 DDEALO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1noc(-c2ccsc2)n1 ZINC000075607001 353371561 /nfs/dbraw/zinc/37/15/61/353371561.db2.gz ZCXUHAGCJPDGQR-LBPRGKRZSA-N 1 2 316.386 1.512 50 30 DDEALO Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000078899615 353539277 /nfs/dbraw/zinc/53/92/77/353539277.db2.gz GVOKZNKGZQWHCX-UONOGXRCSA-N 1 2 302.382 1.328 50 30 DDEALO Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000078899615 353539281 /nfs/dbraw/zinc/53/92/81/353539281.db2.gz GVOKZNKGZQWHCX-UONOGXRCSA-N 1 2 302.382 1.328 50 30 DDEALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000022591118 182327382 /nfs/dbraw/zinc/32/73/82/182327382.db2.gz MZCDXNZKIIVIPL-AWEZNQCLSA-N 1 2 312.417 1.343 50 30 DDEALO N#Cc1ccc(C[NH+]2CCN(C(=O)N3CCOCC3)CC2)cc1 ZINC000024251261 182377823 /nfs/dbraw/zinc/37/78/23/182377823.db2.gz PPJFVDDIBIHAIP-UHFFFAOYSA-N 1 2 314.389 1.128 50 30 DDEALO C[C@H]1CN(C[C@H](C#N)CCC#N)CCN1Cc1[nH+]ccn1C ZINC000071876902 406859063 /nfs/dbraw/zinc/85/90/63/406859063.db2.gz JDRBUEPHCPTOSP-GJZGRUSLSA-N 1 2 300.410 1.370 50 30 DDEALO NC(CN1CCOCC1)=[NH+]OCc1cccc2cccnc21 ZINC000078640071 407037831 /nfs/dbraw/zinc/03/78/31/407037831.db2.gz LNTIIVDNEVNVMK-UHFFFAOYSA-N 1 2 300.362 1.356 50 30 DDEALO OCC#Cc1ccc(-c2nccn2CC[NH+]2CCOCC2)s1 ZINC000067513529 407276127 /nfs/dbraw/zinc/27/61/27/407276127.db2.gz WMSZFOGLMOZFFM-UHFFFAOYSA-N 1 2 317.414 1.288 50 30 DDEALO Cc1[nH+]cc(CN2CCN(C(=O)CC#N)CC2)n1-c1ccccc1 ZINC000585117327 771951644 /nfs/dbraw/zinc/95/16/44/771951644.db2.gz YMYPRDUXPQJNPP-UHFFFAOYSA-N 1 2 323.400 1.739 50 30 DDEALO CC(C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000095403201 185354982 /nfs/dbraw/zinc/35/49/82/185354982.db2.gz FRWFGODORSEOPV-ZDUSSCGKSA-N 1 2 318.396 1.732 50 30 DDEALO N#Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)nc2ccccc12 ZINC000096482670 407271069 /nfs/dbraw/zinc/27/10/69/407271069.db2.gz COEABQPUOITWFA-CQSZACIVSA-N 1 2 312.373 1.211 50 30 DDEALO C[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)C1 ZINC000096500640 407273219 /nfs/dbraw/zinc/27/32/19/407273219.db2.gz UFKRURRSYOKHHQ-LBPRGKRZSA-N 1 2 319.340 1.453 50 30 DDEALO C[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)C1 ZINC000096500640 407273222 /nfs/dbraw/zinc/27/32/22/407273222.db2.gz UFKRURRSYOKHHQ-LBPRGKRZSA-N 1 2 319.340 1.453 50 30 DDEALO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066892967 303205748 /nfs/dbraw/zinc/20/57/48/303205748.db2.gz WJPYUYKPTQWFNJ-QGZVFWFLSA-N 1 2 313.401 1.772 50 30 DDEALO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066892967 303205751 /nfs/dbraw/zinc/20/57/51/303205751.db2.gz WJPYUYKPTQWFNJ-QGZVFWFLSA-N 1 2 313.401 1.772 50 30 DDEALO C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccn1)[NH+]1CCCCCC1 ZINC000123953088 354036177 /nfs/dbraw/zinc/03/61/77/354036177.db2.gz ABKPNHQZTRHZCB-KBPBESRZSA-N 1 2 314.389 1.993 50 30 DDEALO N#Cc1nccnc1N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000096469748 283255388 /nfs/dbraw/zinc/25/53/88/283255388.db2.gz OQPAMLSYGFXFAJ-IRXDYDNUSA-N 1 2 321.384 1.438 50 30 DDEALO N#Cc1nccnc1N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000096469748 283255390 /nfs/dbraw/zinc/25/53/90/283255390.db2.gz OQPAMLSYGFXFAJ-IRXDYDNUSA-N 1 2 321.384 1.438 50 30 DDEALO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000044937166 407034466 /nfs/dbraw/zinc/03/44/66/407034466.db2.gz IEXNIUKWNHBEPV-UHFFFAOYSA-N 1 2 313.810 1.538 50 30 DDEALO S=C(NCC[NH+]1CCOCC1)NN=C1CCCCCCC1 ZINC000038379273 407001008 /nfs/dbraw/zinc/00/10/08/407001008.db2.gz KRNPPOIGIPQNNB-UHFFFAOYSA-N 1 2 312.483 1.883 50 30 DDEALO CC[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735667 407093486 /nfs/dbraw/zinc/09/34/86/407093486.db2.gz HKXZSQJNXJNCQH-CABCVRRESA-N 1 2 305.422 1.640 50 30 DDEALO C#CC[NH+]1CCN([C@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000089946534 407162238 /nfs/dbraw/zinc/16/22/38/407162238.db2.gz CTPICKNYPAUGPV-CQSZACIVSA-N 1 2 303.381 1.712 50 30 DDEALO N#Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)nc2ccccc12 ZINC000096482669 407271079 /nfs/dbraw/zinc/27/10/79/407271079.db2.gz COEABQPUOITWFA-AWEZNQCLSA-N 1 2 312.373 1.211 50 30 DDEALO C[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)C1 ZINC000096500641 407273573 /nfs/dbraw/zinc/27/35/73/407273573.db2.gz UFKRURRSYOKHHQ-GFCCVEGCSA-N 1 2 319.340 1.453 50 30 DDEALO C[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)C1 ZINC000096500641 407273574 /nfs/dbraw/zinc/27/35/74/407273574.db2.gz UFKRURRSYOKHHQ-GFCCVEGCSA-N 1 2 319.340 1.453 50 30 DDEALO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000097049677 407276829 /nfs/dbraw/zinc/27/68/29/407276829.db2.gz NAOKORUFNUJYAB-KGLIPLIRSA-N 1 2 302.378 1.930 50 30 DDEALO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C(C)(C)O)CC1 ZINC000241965609 407913202 /nfs/dbraw/zinc/91/32/02/407913202.db2.gz UUIHGAPTDJHLCT-ZDUSSCGKSA-N 1 2 301.390 1.534 50 30 DDEALO CN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000058213770 522669515 /nfs/dbraw/zinc/66/95/15/522669515.db2.gz UBIKMQOXXMXTNB-OAHLLOKOSA-N 1 2 314.389 1.462 50 30 DDEALO CN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000058213770 522669537 /nfs/dbraw/zinc/66/95/37/522669537.db2.gz UBIKMQOXXMXTNB-OAHLLOKOSA-N 1 2 314.389 1.462 50 30 DDEALO CCOC(=O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000253393281 186303415 /nfs/dbraw/zinc/30/34/15/186303415.db2.gz NZCCXNDCZISNJT-CYBMUJFWSA-N 1 2 305.353 1.819 50 30 DDEALO C#CCN(C[C@@H]1CCCO1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000072268260 406875681 /nfs/dbraw/zinc/87/56/81/406875681.db2.gz NILIYKDOFZFSQJ-HNNXBMFYSA-N 1 2 316.405 1.543 50 30 DDEALO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000032437929 406948205 /nfs/dbraw/zinc/94/82/05/406948205.db2.gz QLSPEXMWAZYNRX-UHFFFAOYSA-N 1 2 316.386 1.498 50 30 DDEALO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(C(=O)OC)nn1 ZINC000054516005 407186271 /nfs/dbraw/zinc/18/62/71/407186271.db2.gz IIQUVFOPCULTBY-UHFFFAOYSA-N 1 2 313.361 1.806 50 30 DDEALO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc(C(=O)OC)nn1 ZINC000054516005 407186272 /nfs/dbraw/zinc/18/62/72/407186272.db2.gz IIQUVFOPCULTBY-UHFFFAOYSA-N 1 2 313.361 1.806 50 30 DDEALO COC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000096448402 407268204 /nfs/dbraw/zinc/26/82/04/407268204.db2.gz PDNXBEPJZYMFDE-UHFFFAOYSA-N 1 2 308.403 1.443 50 30 DDEALO CCOC1CC(CNc2nccnc2C#N)([NH+]2CCOCC2)C1 ZINC000253425692 407445952 /nfs/dbraw/zinc/44/59/52/407445952.db2.gz VXZMUNFSNJJWJV-UHFFFAOYSA-N 1 2 317.393 1.030 50 30 DDEALO CC(C)C[N@H+](CC(N)=O)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000044898731 418430934 /nfs/dbraw/zinc/43/09/34/418430934.db2.gz BXNXIHLBAOLRGR-UHFFFAOYSA-N 1 2 308.426 1.115 50 30 DDEALO CC(C)C[N@@H+](CC(N)=O)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000044898731 418430937 /nfs/dbraw/zinc/43/09/37/418430937.db2.gz BXNXIHLBAOLRGR-UHFFFAOYSA-N 1 2 308.426 1.115 50 30 DDEALO C=CCn1nc(C)c(CCC(=O)NCC[NH+]2CCOCC2)c1C ZINC000072242975 519291229 /nfs/dbraw/zinc/29/12/29/519291229.db2.gz RYDFWOWZLXRYRB-UHFFFAOYSA-N 1 2 320.437 1.067 50 30 DDEALO Cc1ccc(C(=O)ONC(=[NH2+])c2cccnc2)cc1[N+](=O)[O-] ZINC000005073040 181201322 /nfs/dbraw/zinc/20/13/22/181201322.db2.gz IQLLVOHXYWKCFZ-UHFFFAOYSA-N 1 2 300.274 1.776 50 30 DDEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 ZINC000017844094 182086765 /nfs/dbraw/zinc/08/67/65/182086765.db2.gz QOMWJHWMMWGIDA-UHFFFAOYSA-N 1 2 322.368 1.205 50 30 DDEALO N#Cc1ccc(OCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000069660313 406751650 /nfs/dbraw/zinc/75/16/50/406751650.db2.gz VXTLYQADPKWXPT-HNNXBMFYSA-N 1 2 310.357 1.997 50 30 DDEALO COc1ccc(C(=O)ONC(=[NH2+])c2cccnc2)cc1[N+](=O)[O-] ZINC000008576385 406789499 /nfs/dbraw/zinc/78/94/99/406789499.db2.gz JFEXTSGWSVPPIC-UHFFFAOYSA-N 1 2 316.273 1.476 50 30 DDEALO Cn1ncc2c1nc[nH+]c2SCC(=O)NC1(C#N)CCCC1 ZINC000011682399 406829214 /nfs/dbraw/zinc/82/92/14/406829214.db2.gz GVZDNJVENQFWFN-UHFFFAOYSA-N 1 2 316.390 1.408 50 30 DDEALO CCN(CC)c1cc(C)c(C#N)c(NCC[NH+]2CCOCC2)n1 ZINC000071280409 406835581 /nfs/dbraw/zinc/83/55/81/406835581.db2.gz IVTXPTBFFAQJIK-UHFFFAOYSA-N 1 2 317.437 1.852 50 30 DDEALO COc1ccc(C#N)cc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000050108224 407127762 /nfs/dbraw/zinc/12/77/62/407127762.db2.gz WWAHYQIWAKDQAT-LBPRGKRZSA-N 1 2 318.377 1.409 50 30 DDEALO N#Cc1ccccc1OCC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000096405357 407260600 /nfs/dbraw/zinc/26/06/00/407260600.db2.gz QXTLUXARSKOCOU-HNNXBMFYSA-N 1 2 320.414 1.589 50 30 DDEALO N#Cc1ccccc1OCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000096405357 407260602 /nfs/dbraw/zinc/26/06/02/407260602.db2.gz QXTLUXARSKOCOU-HNNXBMFYSA-N 1 2 320.414 1.589 50 30 DDEALO CC[C@@H](C#N)S(=O)(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000095975091 407219158 /nfs/dbraw/zinc/21/91/58/407219158.db2.gz DPXTWSKJFZIVLW-INIZCTEOSA-N 1 2 321.446 1.745 50 30 DDEALO COc1ccc(C(N)=[NH+]OCC(=O)N2CCCCCC2)cc1 ZINC000047538660 418458748 /nfs/dbraw/zinc/45/87/48/418458748.db2.gz SSSCRSVWRRTJLF-UHFFFAOYSA-N 1 2 305.378 1.735 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000069302159 280100835 /nfs/dbraw/zinc/10/08/35/280100835.db2.gz HTDGFFQDVKLWMX-CZUORRHYSA-N 1 2 309.410 1.268 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000069302159 280100836 /nfs/dbraw/zinc/10/08/36/280100836.db2.gz HTDGFFQDVKLWMX-CZUORRHYSA-N 1 2 309.410 1.268 50 30 DDEALO Cc1cc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cnn1 ZINC000329906737 534008284 /nfs/dbraw/zinc/00/82/84/534008284.db2.gz SKXRIMLXKRAJFC-UHFFFAOYSA-N 1 2 304.354 1.470 50 30 DDEALO CCN(CC)c1ccc(/C=[NH+]/NC(=N)c2nonc2N)c(O)c1 ZINC000003637749 520881910 /nfs/dbraw/zinc/88/19/10/520881910.db2.gz PJLFCFAWZSIQJO-CAOOACKPSA-N 1 2 317.353 1.153 50 30 DDEALO CCN1CCN(CC(=O)NC[C@@H]2CCCO2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329899441 529136534 /nfs/dbraw/zinc/13/65/34/529136534.db2.gz FMXSSUZFXBWYNY-UONOGXRCSA-N 1 2 321.425 1.224 50 30 DDEALO C=C(C)CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000195570746 354297818 /nfs/dbraw/zinc/29/78/18/354297818.db2.gz VWZWIYANFXBDMO-UHFFFAOYSA-N 1 2 322.453 1.196 50 30 DDEALO COc1ccc(C[NH+]2CCN(CCC#N)CC2)c(OC)c1OC ZINC000022807539 182335871 /nfs/dbraw/zinc/33/58/71/182335871.db2.gz LAUPRAIBMSDPNM-UHFFFAOYSA-N 1 2 319.405 1.744 50 30 DDEALO CCc1nnc(C[N@@H+]2CC[C@H](CNc3ccc(C#N)cn3)C2)o1 ZINC000065514423 184357911 /nfs/dbraw/zinc/35/79/11/184357911.db2.gz BBEAWNORQIPGJK-CYBMUJFWSA-N 1 2 312.377 1.833 50 30 DDEALO CCc1nnc(C[N@H+]2CC[C@H](CNc3ccc(C#N)cn3)C2)o1 ZINC000065514423 184357912 /nfs/dbraw/zinc/35/79/12/184357912.db2.gz BBEAWNORQIPGJK-CYBMUJFWSA-N 1 2 312.377 1.833 50 30 DDEALO Cc1nnc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1C ZINC000071824889 406847105 /nfs/dbraw/zinc/84/71/05/406847105.db2.gz SNIZSKPLTZGHNO-UHFFFAOYSA-N 1 2 311.393 1.103 50 30 DDEALO Cc1nnc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1C ZINC000071824889 406847108 /nfs/dbraw/zinc/84/71/08/406847108.db2.gz SNIZSKPLTZGHNO-UHFFFAOYSA-N 1 2 311.393 1.103 50 30 DDEALO C=CC[NH+]1CCN(C(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000013737285 406868099 /nfs/dbraw/zinc/86/80/99/406868099.db2.gz IZDLLZRZHFGCNB-UHFFFAOYSA-N 1 2 309.391 1.870 50 30 DDEALO N#Cc1ccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)nc1 ZINC000040488119 407002726 /nfs/dbraw/zinc/00/27/26/407002726.db2.gz GJATVIZXMAWKRF-KRWDZBQOSA-N 1 2 321.384 1.302 50 30 DDEALO C=CC[N@H+](Cc1ccccc1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000052827588 407157507 /nfs/dbraw/zinc/15/75/07/407157507.db2.gz FOFYCSFJJJDOJQ-UHFFFAOYSA-N 1 2 309.373 1.845 50 30 DDEALO C=CC[N@@H+](Cc1ccccc1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000052827588 407157509 /nfs/dbraw/zinc/15/75/09/407157509.db2.gz FOFYCSFJJJDOJQ-UHFFFAOYSA-N 1 2 309.373 1.845 50 30 DDEALO CC(C)Cn1c[nH+]cc1Cn1ccc2nc(O)c(C#N)cc2c1=O ZINC000067755417 407283591 /nfs/dbraw/zinc/28/35/91/407283591.db2.gz IMDSVXFFCUNHOJ-UHFFFAOYSA-N 1 2 323.356 1.875 50 30 DDEALO CN1CC[N@H+](C)[C@@H](CNc2ccc(Br)cc2C#N)C1 ZINC000108389871 407385578 /nfs/dbraw/zinc/38/55/78/407385578.db2.gz UQPFRMKOJVIRCK-ZDUSSCGKSA-N 1 2 323.238 1.978 50 30 DDEALO CN1CC[N@@H+](C)[C@@H](CNc2ccc(Br)cc2C#N)C1 ZINC000108389871 407385580 /nfs/dbraw/zinc/38/55/80/407385580.db2.gz UQPFRMKOJVIRCK-ZDUSSCGKSA-N 1 2 323.238 1.978 50 30 DDEALO COc1ccc(CC(=O)ONC(=[NH2+])c2ccncc2)cc1OC ZINC000003615928 523912369 /nfs/dbraw/zinc/91/23/69/523912369.db2.gz XTPNNJBTLCHIGP-UHFFFAOYSA-N 1 2 315.329 1.715 50 30 DDEALO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000057286387 525737436 /nfs/dbraw/zinc/73/74/36/525737436.db2.gz MJJLRDDBXCOTKQ-SFHVURJKSA-N 1 2 312.417 1.617 50 30 DDEALO CO[C@@H](C)C(N)=[NH+]OCC(=O)N(Cc1ccsc1)C1CC1 ZINC000075092371 353346279 /nfs/dbraw/zinc/34/62/79/353346279.db2.gz YEQUUKFQVYOKQZ-JTQLQIEISA-N 1 2 311.407 1.563 50 30 DDEALO CN(C)c1ncc(C[N@@H+]2CCCn3nc(C#N)cc3C2)s1 ZINC000584893312 354795618 /nfs/dbraw/zinc/79/56/18/354795618.db2.gz NHEHERCETUBJOB-UHFFFAOYSA-N 1 2 302.407 1.683 50 30 DDEALO CN(C)c1ncc(C[N@H+]2CCCn3nc(C#N)cc3C2)s1 ZINC000584893312 354795620 /nfs/dbraw/zinc/79/56/20/354795620.db2.gz NHEHERCETUBJOB-UHFFFAOYSA-N 1 2 302.407 1.683 50 30 DDEALO C#CC[N@H+](Cc1cccc2[nH]ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092194782 193171962 /nfs/dbraw/zinc/17/19/62/193171962.db2.gz WWKFTTGOCSUIBL-CQSZACIVSA-N 1 2 302.399 1.790 50 30 DDEALO C#CC[N@@H+](Cc1cccc2[nH]ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092194782 193171963 /nfs/dbraw/zinc/17/19/63/193171963.db2.gz WWKFTTGOCSUIBL-CQSZACIVSA-N 1 2 302.399 1.790 50 30 DDEALO N#Cc1ccccc1OCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000007989640 406775421 /nfs/dbraw/zinc/77/54/21/406775421.db2.gz JZZVLHFXGAJPTI-UHFFFAOYSA-N 1 2 322.368 1.681 50 30 DDEALO CCSc1nc(N2CCOCC2)c2c(c1C#N)CC[N@@H+](C)C2 ZINC000020625072 406887858 /nfs/dbraw/zinc/88/78/58/406887858.db2.gz KCSKYCKKYJZZQF-UHFFFAOYSA-N 1 2 318.446 1.890 50 30 DDEALO CCSc1nc(N2CCOCC2)c2c(c1C#N)CC[N@H+](C)C2 ZINC000020625072 406887861 /nfs/dbraw/zinc/88/78/61/406887861.db2.gz KCSKYCKKYJZZQF-UHFFFAOYSA-N 1 2 318.446 1.890 50 30 DDEALO Cc1cc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)no1 ZINC000029727933 406926920 /nfs/dbraw/zinc/92/69/20/406926920.db2.gz UEAHXKADXZJMIA-HNNXBMFYSA-N 1 2 301.346 1.726 50 30 DDEALO Cc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)no1 ZINC000029727933 406926923 /nfs/dbraw/zinc/92/69/23/406926923.db2.gz UEAHXKADXZJMIA-HNNXBMFYSA-N 1 2 301.346 1.726 50 30 DDEALO CCCNC(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000057326826 407214563 /nfs/dbraw/zinc/21/45/63/407214563.db2.gz AFZFVLVALLDJAG-UHFFFAOYSA-N 1 2 320.824 1.860 50 30 DDEALO C#CCC[NH+]1CCN(S(=O)(=O)c2cn([C@H](C)CC)cn2)CC1 ZINC000096472518 407270576 /nfs/dbraw/zinc/27/05/76/407270576.db2.gz JBKFRQDGCIQUJC-CQSZACIVSA-N 1 2 324.450 1.184 50 30 DDEALO C#CCNC(=O)C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026642100 518275155 /nfs/dbraw/zinc/27/51/55/518275155.db2.gz QCDGSQRDSMPYGG-UHFFFAOYSA-N 1 2 312.413 1.948 50 30 DDEALO N#Cc1c(N)sc2c1CCN(c1nc(-n3cccn3)cc[nH+]1)C2 ZINC000071907347 283078918 /nfs/dbraw/zinc/07/89/18/283078918.db2.gz TZAQBNOYHNRCPA-UHFFFAOYSA-N 1 2 323.385 1.740 50 30 DDEALO Cc1ccc(C(=O)ONC(=[NH2+])c2ccncc2)cc1[N+](=O)[O-] ZINC000005073313 181201205 /nfs/dbraw/zinc/20/12/05/181201205.db2.gz YVOHOUDGVXHFSA-UHFFFAOYSA-N 1 2 300.274 1.776 50 30 DDEALO COCc1cc(N2CC[NH+](Cc3ccccc3C#N)CC2)ncn1 ZINC000095370159 193434811 /nfs/dbraw/zinc/43/48/11/193434811.db2.gz LZPZPHFSIRXVQX-UHFFFAOYSA-N 1 2 323.400 1.817 50 30 DDEALO CC[N@H+](CC(=O)NC(C)C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015420569 284396410 /nfs/dbraw/zinc/39/64/10/284396410.db2.gz WDSFFUIWCCORTH-UHFFFAOYSA-N 1 2 322.453 1.518 50 30 DDEALO CC[N@@H+](CC(=O)NC(C)C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015420569 284396412 /nfs/dbraw/zinc/39/64/12/284396412.db2.gz WDSFFUIWCCORTH-UHFFFAOYSA-N 1 2 322.453 1.518 50 30 DDEALO COc1ccc(/C=N/n2cncn2)cc1C[NH+]1CCOCC1 ZINC000000522445 406653662 /nfs/dbraw/zinc/65/36/62/406653662.db2.gz ZQVLJZOSRALCGU-RQZCQDPDSA-N 1 2 301.350 1.001 50 30 DDEALO N#Cc1ccc(C[NH+]2CCN(C(=O)CCn3cccn3)CC2)cc1 ZINC000071853553 406852186 /nfs/dbraw/zinc/85/21/86/406852186.db2.gz SYRIMMKVPFPFLG-UHFFFAOYSA-N 1 2 323.400 1.489 50 30 DDEALO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000072897999 406886921 /nfs/dbraw/zinc/88/69/21/406886921.db2.gz OAGZJCMEGGCPRB-CABCVRRESA-N 1 2 312.373 1.310 50 30 DDEALO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000072897999 406886922 /nfs/dbraw/zinc/88/69/22/406886922.db2.gz OAGZJCMEGGCPRB-CABCVRRESA-N 1 2 312.373 1.310 50 30 DDEALO CC(=Nc1cnn(CC[NH+]2CCOCC2)c1)c1nccs1 ZINC000254897122 407467692 /nfs/dbraw/zinc/46/76/92/407467692.db2.gz JFPXBIRKXVQEED-UHFFFAOYSA-N 1 2 305.407 1.813 50 30 DDEALO C[C@@H](C(N)=O)[NH+]1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000225465373 407587568 /nfs/dbraw/zinc/58/75/68/407587568.db2.gz LRWDRJHGNQBJSX-JTQLQIEISA-N 1 2 324.787 1.342 50 30 DDEALO CC[N@@H+]1CCc2c(C#N)c(Cl)nc(N3CCOCC3)c2C1 ZINC000020828813 276236434 /nfs/dbraw/zinc/23/64/34/276236434.db2.gz BXVMCOITONNAIJ-UHFFFAOYSA-N 1 2 306.797 1.821 50 30 DDEALO CC[N@H+]1CCc2c(C#N)c(Cl)nc(N3CCOCC3)c2C1 ZINC000020828813 276236436 /nfs/dbraw/zinc/23/64/36/276236436.db2.gz BXVMCOITONNAIJ-UHFFFAOYSA-N 1 2 306.797 1.821 50 30 DDEALO C[C@H]1CN(c2nnc(/[NH+]=C/N3CCOCC3)s2)C[C@H](C)O1 ZINC000004478116 279894715 /nfs/dbraw/zinc/89/47/15/279894715.db2.gz KJYUNKWMXUHYIJ-HSFXNQSJSA-N 1 2 311.411 1.144 50 30 DDEALO CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@H](n3cc[nH+]c3)C2)o1 ZINC000065532113 539032914 /nfs/dbraw/zinc/03/29/14/539032914.db2.gz AUHNDGDXYJRGEI-ZDUSSCGKSA-N 1 2 313.357 1.686 50 30 DDEALO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000096998118 185395926 /nfs/dbraw/zinc/39/59/26/185395926.db2.gz NAONNVOZYBQEHS-AWEZNQCLSA-N 1 2 300.406 1.595 50 30 DDEALO CN(C)c1cc(CNS(=O)(=O)c2ccc(C#N)cc2)cc[nH+]1 ZINC000040512756 183088279 /nfs/dbraw/zinc/08/82/79/183088279.db2.gz KWXSDXMMAHPERR-UHFFFAOYSA-N 1 2 316.386 1.498 50 30 DDEALO C=CCNC(=O)C[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000075143599 406924512 /nfs/dbraw/zinc/92/45/12/406924512.db2.gz OFVOIJMHEGGVAJ-UHFFFAOYSA-N 1 2 316.449 1.043 50 30 DDEALO C=CCNC(=O)C[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000075143599 406924515 /nfs/dbraw/zinc/92/45/15/406924515.db2.gz OFVOIJMHEGGVAJ-UHFFFAOYSA-N 1 2 316.449 1.043 50 30 DDEALO C=C(Cl)C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCc2ccccc21 ZINC000065609436 407245165 /nfs/dbraw/zinc/24/51/65/407245165.db2.gz QYTHIQASIIHIOS-CYBMUJFWSA-N 1 2 307.781 1.923 50 30 DDEALO C=C(Cl)C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCc2ccccc21 ZINC000065609436 407245166 /nfs/dbraw/zinc/24/51/66/407245166.db2.gz QYTHIQASIIHIOS-CYBMUJFWSA-N 1 2 307.781 1.923 50 30 DDEALO C=C(C)CN(CC)C(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067587262 407276571 /nfs/dbraw/zinc/27/65/71/407276571.db2.gz BRXKXHDILJURDR-UHFFFAOYSA-N 1 2 307.394 1.670 50 30 DDEALO N#CCCn1ncc2c1nc[nH+]c2NC[C@H](O)c1ccccc1 ZINC000097199719 407286940 /nfs/dbraw/zinc/28/69/40/407286940.db2.gz DQHMPPSCHYWELG-AWEZNQCLSA-N 1 2 308.345 1.885 50 30 DDEALO N#Cc1ccc(N2CC[NH+](CCn3cc(Cl)cn3)CC2)nc1 ZINC000244708139 407930513 /nfs/dbraw/zinc/93/05/13/407930513.db2.gz KOJHVGCPUVXSRJ-UHFFFAOYSA-N 1 2 316.796 1.625 50 30 DDEALO C#CC[NH+]1CCN(c2ncc(Br)c(NC)n2)CC1 ZINC000131881600 275382958 /nfs/dbraw/zinc/38/29/58/275382958.db2.gz JXGCWEBSFLFGRB-UHFFFAOYSA-N 1 2 310.199 1.036 50 30 DDEALO C#CCNC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000069443172 406712283 /nfs/dbraw/zinc/71/22/83/406712283.db2.gz SFRYQYHLLBKNPG-UHFFFAOYSA-N 1 2 318.804 1.984 50 30 DDEALO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000089620884 407142097 /nfs/dbraw/zinc/14/20/97/407142097.db2.gz PCJQNHWBBWHFDL-HNNXBMFYSA-N 1 2 302.374 1.862 50 30 DDEALO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000089620884 407142099 /nfs/dbraw/zinc/14/20/99/407142099.db2.gz PCJQNHWBBWHFDL-HNNXBMFYSA-N 1 2 302.374 1.862 50 30 DDEALO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000052714449 407156365 /nfs/dbraw/zinc/15/63/65/407156365.db2.gz BAXYBIBSXRXEKP-HNNXBMFYSA-N 1 2 317.389 1.400 50 30 DDEALO C=CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000052714449 407156369 /nfs/dbraw/zinc/15/63/69/407156369.db2.gz BAXYBIBSXRXEKP-HNNXBMFYSA-N 1 2 317.389 1.400 50 30 DDEALO N#Cc1cnc(N2CCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000160411278 408481099 /nfs/dbraw/zinc/48/10/99/408481099.db2.gz KOJNHIUIFBRZRH-CYBMUJFWSA-N 1 2 306.797 1.908 50 30 DDEALO CC(C)OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000047461891 418457595 /nfs/dbraw/zinc/45/75/95/418457595.db2.gz SDCLDZGXJKLTOE-UHFFFAOYSA-N 1 2 304.394 1.971 50 30 DDEALO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000328592123 418605820 /nfs/dbraw/zinc/60/58/20/418605820.db2.gz FLTPZEWLFGSEQP-NSHDSACASA-N 1 2 304.350 1.076 50 30 DDEALO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000328592123 418605824 /nfs/dbraw/zinc/60/58/24/418605824.db2.gz FLTPZEWLFGSEQP-NSHDSACASA-N 1 2 304.350 1.076 50 30 DDEALO COC(=O)[C@@H]1C(=O)C(=C[NH+]=c2cc[nH]cc2)C(=O)CC1(C)C ZINC000100734282 277343457 /nfs/dbraw/zinc/34/34/57/277343457.db2.gz MVNCKTJJRFRZRD-FUWURINLSA-N 1 2 302.330 1.735 50 30 DDEALO N#Cc1ccc(F)cc1C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089992304 185275574 /nfs/dbraw/zinc/27/55/74/185275574.db2.gz IXUXMVQUUDJWQG-UHFFFAOYSA-N 1 2 311.382 1.198 50 30 DDEALO N#Cc1ccsc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000078788911 353532413 /nfs/dbraw/zinc/53/24/13/353532413.db2.gz CSDZSMHMMYBFKM-QWHCGFSZSA-N 1 2 305.403 1.291 50 30 DDEALO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000052714451 407156841 /nfs/dbraw/zinc/15/68/41/407156841.db2.gz BAXYBIBSXRXEKP-OAHLLOKOSA-N 1 2 317.389 1.400 50 30 DDEALO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000052714451 407156843 /nfs/dbraw/zinc/15/68/43/407156843.db2.gz BAXYBIBSXRXEKP-OAHLLOKOSA-N 1 2 317.389 1.400 50 30 DDEALO CN1CC[N@H+](C)[C@H](CNc2ccc(Br)cc2C#N)C1 ZINC000096008460 407223518 /nfs/dbraw/zinc/22/35/18/407223518.db2.gz UQPFRMKOJVIRCK-CYBMUJFWSA-N 1 2 323.238 1.978 50 30 DDEALO CN1CC[N@@H+](C)[C@H](CNc2ccc(Br)cc2C#N)C1 ZINC000096008460 407223520 /nfs/dbraw/zinc/22/35/20/407223520.db2.gz UQPFRMKOJVIRCK-CYBMUJFWSA-N 1 2 323.238 1.978 50 30 DDEALO C#CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C1CCCC1 ZINC000097014186 407275301 /nfs/dbraw/zinc/27/53/01/407275301.db2.gz IPOVRXRZIMZMDT-HNNXBMFYSA-N 1 2 306.454 1.210 50 30 DDEALO C=CC[NH+]1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 ZINC000067263004 517332246 /nfs/dbraw/zinc/33/22/46/517332246.db2.gz PILVULNXWJMPSM-UHFFFAOYSA-N 1 2 311.389 1.520 50 30 DDEALO C#CCCC1(CCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)N=N1 ZINC000952881418 775635399 /nfs/dbraw/zinc/63/53/99/775635399.db2.gz LUAADYNQWSLLSV-AWEZNQCLSA-N 1 2 305.426 1.094 50 30 DDEALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CN(C)c1ccc(C#N)cn1)C2 ZINC000072279186 191099998 /nfs/dbraw/zinc/09/99/98/191099998.db2.gz LNBKTGNTZLRQKW-CQSZACIVSA-N 1 2 324.388 1.026 50 30 DDEALO C=CCN(Cc1cccs1)C(=O)CN1CCn2cc[nH+]c2C1 ZINC000097201340 407286767 /nfs/dbraw/zinc/28/67/67/407286767.db2.gz WRMPRPQQEYUNFD-UHFFFAOYSA-N 1 2 316.430 1.975 50 30 DDEALO C[C@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1[nH+]ccn1C ZINC000229554100 300264898 /nfs/dbraw/zinc/26/48/98/300264898.db2.gz JDRBUEPHCPTOSP-LSDHHAIUSA-N 1 2 300.410 1.370 50 30 DDEALO C[C@@H]1CC[C@H](CO)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000095436521 185365301 /nfs/dbraw/zinc/36/53/01/185365301.db2.gz FRVFQLZZVHCJQZ-HIFRSBDPSA-N 1 2 322.430 1.425 50 30 DDEALO C[C@@H]1CC[C@H](CO)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000095436521 185365302 /nfs/dbraw/zinc/36/53/02/185365302.db2.gz FRVFQLZZVHCJQZ-HIFRSBDPSA-N 1 2 322.430 1.425 50 30 DDEALO CCOC(=O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000253393283 186303465 /nfs/dbraw/zinc/30/34/65/186303465.db2.gz NZCCXNDCZISNJT-ZDUSSCGKSA-N 1 2 305.353 1.819 50 30 DDEALO C=CCO[C@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000071863732 406855498 /nfs/dbraw/zinc/85/54/98/406855498.db2.gz NBXVSJLBVIBLKK-WBVHZDCISA-N 1 2 318.417 1.455 50 30 DDEALO N#Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000025289710 406895322 /nfs/dbraw/zinc/89/53/22/406895322.db2.gz LMTRGSRISJXTEV-UHFFFAOYSA-N 1 2 322.368 1.720 50 30 DDEALO CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)c2ccccc2)o1 ZINC000054153217 407179320 /nfs/dbraw/zinc/17/93/20/407179320.db2.gz NBXNHJQYQGBTPE-UHFFFAOYSA-N 1 2 323.374 1.367 50 30 DDEALO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000170603792 407452604 /nfs/dbraw/zinc/45/26/04/407452604.db2.gz SGDUHMRGRWHOHX-OAHLLOKOSA-N 1 2 323.356 1.384 50 30 DDEALO C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068756988 519000399 /nfs/dbraw/zinc/00/03/99/519000399.db2.gz YVWJGNGPSXHJPP-NVXWUHKLSA-N 1 2 318.417 1.595 50 30 DDEALO C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068756988 519000407 /nfs/dbraw/zinc/00/04/07/519000407.db2.gz YVWJGNGPSXHJPP-NVXWUHKLSA-N 1 2 318.417 1.595 50 30 DDEALO Cc1c(C[NH+]2CCN(Cc3cccnc3)CC2)cc(C#N)n1C ZINC000097375349 353919604 /nfs/dbraw/zinc/91/96/04/353919604.db2.gz NEBJBFVBXRJAMZ-UHFFFAOYSA-N 1 2 309.417 1.918 50 30 DDEALO Cc1c(CN2CC[NH+](Cc3cccnc3)CC2)cc(C#N)n1C ZINC000097375349 353919608 /nfs/dbraw/zinc/91/96/08/353919608.db2.gz NEBJBFVBXRJAMZ-UHFFFAOYSA-N 1 2 309.417 1.918 50 30 DDEALO CCN1CC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)[C@@H](C)C1=O ZINC000065387364 184333894 /nfs/dbraw/zinc/33/38/94/184333894.db2.gz OAVFYEAYTODPDZ-HNNXBMFYSA-N 1 2 314.429 1.862 50 30 DDEALO CCN1CC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)[C@@H](C)C1=O ZINC000065387364 184333895 /nfs/dbraw/zinc/33/38/95/184333895.db2.gz OAVFYEAYTODPDZ-HNNXBMFYSA-N 1 2 314.429 1.862 50 30 DDEALO COc1cc(C#N)c(NC(=O)C[NH+]2CCCCC2)cc1OC ZINC000001422812 406669276 /nfs/dbraw/zinc/66/92/76/406669276.db2.gz OENBQEAAMUJGIB-UHFFFAOYSA-N 1 2 303.362 2.000 50 30 DDEALO CC(C)(C)NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000012542483 406846969 /nfs/dbraw/zinc/84/69/69/406846969.db2.gz AFNPAZSSSDKKJM-UHFFFAOYSA-N 1 2 318.396 1.734 50 30 DDEALO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000071824943 406847567 /nfs/dbraw/zinc/84/75/67/406847567.db2.gz FHQYUDWGYMEQOF-CVEARBPZSA-N 1 2 314.433 1.815 50 30 DDEALO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000071824943 406847568 /nfs/dbraw/zinc/84/75/68/406847568.db2.gz FHQYUDWGYMEQOF-CVEARBPZSA-N 1 2 314.433 1.815 50 30 DDEALO Cc1nnc(N2CC[NH+](Cc3ccncc3)CC2)c(C#N)c1C ZINC000024054159 406891669 /nfs/dbraw/zinc/89/16/69/406891669.db2.gz DYNWXVILXQZNDD-UHFFFAOYSA-N 1 2 308.389 1.682 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245846023 222218332 /nfs/dbraw/zinc/21/83/32/222218332.db2.gz JJJJSEPVYZWIJK-HOCLYGCPSA-N 1 2 303.410 1.611 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245846023 222218333 /nfs/dbraw/zinc/21/83/33/222218333.db2.gz JJJJSEPVYZWIJK-HOCLYGCPSA-N 1 2 303.410 1.611 50 30 DDEALO C[C@H](C(=O)ONC(=[NH2+])c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000004986306 526187234 /nfs/dbraw/zinc/18/72/34/526187234.db2.gz WKPCJXIIWRLVCC-JTQLQIEISA-N 1 2 314.301 1.957 50 30 DDEALO C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccn1)[NH+]1CCCCCC1 ZINC000123953291 354035923 /nfs/dbraw/zinc/03/59/23/354035923.db2.gz ABKPNHQZTRHZCB-KGLIPLIRSA-N 1 2 314.389 1.993 50 30 DDEALO C#CC[N@H+](Cc1cccc2[nH]ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000092194785 193171800 /nfs/dbraw/zinc/17/18/00/193171800.db2.gz WWKFTTGOCSUIBL-AWEZNQCLSA-N 1 2 302.399 1.790 50 30 DDEALO C#CC[N@@H+](Cc1cccc2[nH]ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000092194785 193171801 /nfs/dbraw/zinc/17/18/01/193171801.db2.gz WWKFTTGOCSUIBL-AWEZNQCLSA-N 1 2 302.399 1.790 50 30 DDEALO C[NH+]1CCN(C(=O)C(F)(F)C(F)(F)OC(F)(F)F)CC1 ZINC000019535720 182129118 /nfs/dbraw/zinc/12/91/18/182129118.db2.gz DUJFMMNAHVQSBJ-UHFFFAOYSA-N 1 2 312.185 1.525 50 30 DDEALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C2 ZINC000065474252 184351498 /nfs/dbraw/zinc/35/14/98/184351498.db2.gz ZWWIUWCQPJGQKU-ZFWWWQNUSA-N 1 2 324.384 1.962 50 30 DDEALO N#CC1C(=O)NC(N2CCc3ccccc3C2)=[NH+]C12CCCC2 ZINC000009225350 406805803 /nfs/dbraw/zinc/80/58/03/406805803.db2.gz JWDVCYOQYAXGQQ-HNNXBMFYSA-N 1 2 308.385 1.983 50 30 DDEALO CNc1cc(N2CCC[C@@H]2CNc2ccc(C#N)cn2)nc[nH+]1 ZINC000071859441 406853644 /nfs/dbraw/zinc/85/36/44/406853644.db2.gz RQRFHKQBDPTUCS-CYBMUJFWSA-N 1 2 309.377 1.866 50 30 DDEALO CNc1cc(N2CCC[C@@H]2CNc2ccc(C#N)cn2)[nH+]cn1 ZINC000071859441 406853646 /nfs/dbraw/zinc/85/36/46/406853646.db2.gz RQRFHKQBDPTUCS-CYBMUJFWSA-N 1 2 309.377 1.866 50 30 DDEALO Cc1cc(C[NH+]2CCN(c3nnc(C)c(C)c3C#N)CC2)on1 ZINC000029430975 406923504 /nfs/dbraw/zinc/92/35/04/406923504.db2.gz AGEKHVYSTBQMDK-UHFFFAOYSA-N 1 2 312.377 1.584 50 30 DDEALO C=C(Cl)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000096415758 407262218 /nfs/dbraw/zinc/26/22/18/407262218.db2.gz LVKUSRZMQMAKGP-UHFFFAOYSA-N 1 2 323.828 1.188 50 30 DDEALO C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000044818880 418430715 /nfs/dbraw/zinc/43/07/15/418430715.db2.gz QEBNZOSQKRNEIK-OAHLLOKOSA-N 1 2 323.400 1.660 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(C[C@H](C#N)CCC#N)C[C@@H]1C ZINC000069630361 523533981 /nfs/dbraw/zinc/53/39/81/523533981.db2.gz OWBXNFUCPYRACH-HOTGVXAUSA-N 1 2 314.437 1.853 50 30 DDEALO C#CC[NH+]1CCN(C(=O)c2ccc(OC)cc2OCC=C)CC1 ZINC000126035595 354049886 /nfs/dbraw/zinc/04/98/86/354049886.db2.gz WSTOULANUFPKMM-UHFFFAOYSA-N 1 2 314.385 1.651 50 30 DDEALO Cc1[nH]c(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cc1C#N ZINC000584904191 354802544 /nfs/dbraw/zinc/80/25/44/354802544.db2.gz CYQHYBZLWUVMFM-UHFFFAOYSA-N 1 2 324.388 1.011 50 30 DDEALO C=CC[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)Cc2cccnc2)C1 ZINC000091818021 193112162 /nfs/dbraw/zinc/11/21/62/193112162.db2.gz DJHBOMATZHYMCV-GOSISDBHSA-N 1 2 317.433 1.691 50 30 DDEALO C=CC[C@@]1(CO)CCCN(C(=O)C[N@H+](C)Cc2cccnc2)C1 ZINC000091818021 193112163 /nfs/dbraw/zinc/11/21/63/193112163.db2.gz DJHBOMATZHYMCV-GOSISDBHSA-N 1 2 317.433 1.691 50 30 DDEALO N#Cc1csc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000093014899 193193284 /nfs/dbraw/zinc/19/32/84/193193284.db2.gz XDSPKILBDFVRCT-HNNXBMFYSA-N 1 2 319.430 1.833 50 30 DDEALO N#Cc1csc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000093014899 193193286 /nfs/dbraw/zinc/19/32/86/193193286.db2.gz XDSPKILBDFVRCT-HNNXBMFYSA-N 1 2 319.430 1.833 50 30 DDEALO C#CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000029325094 406923086 /nfs/dbraw/zinc/92/30/86/406923086.db2.gz VXLNNVKJCUABTG-UHFFFAOYSA-N 1 2 314.389 1.022 50 30 DDEALO Cc1ccsc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000254448277 407464313 /nfs/dbraw/zinc/46/43/13/407464313.db2.gz HZZWOIBCGKUOFL-UHFFFAOYSA-N 1 2 312.464 1.187 50 30 DDEALO C=CCNC(=O)CCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004721820 518884282 /nfs/dbraw/zinc/88/42/82/518884282.db2.gz LQBHYLWDPVEHRU-UHFFFAOYSA-N 1 2 316.405 1.203 50 30 DDEALO NC(=[NH+]OCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 ZINC000022314888 526811412 /nfs/dbraw/zinc/81/14/12/526811412.db2.gz CRFGVICZDISBNT-UHFFFAOYSA-N 1 2 322.368 1.960 50 30 DDEALO NC(Cc1cccc(Br)c1)=[NH+]O[C@@H]1CCNC1=O ZINC000095971792 696603361 /nfs/dbraw/zinc/60/33/61/696603361.db2.gz MRAVHZYZSLOJBT-SNVBAGLBSA-N 1 2 312.167 1.169 50 30 DDEALO O=C(C1CCC1)N1CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000828644564 759731583 /nfs/dbraw/zinc/73/15/83/759731583.db2.gz FGSSOSYQOOXLSD-UHFFFAOYSA-N 1 2 318.442 1.536 50 30 DDEALO CC(C)(O)C#Cc1ccc(-c2[nH+]ccn2CCn2cnnc2)cc1 ZINC000072425353 191159306 /nfs/dbraw/zinc/15/93/06/191159306.db2.gz HIKDQJPMWDWOFV-UHFFFAOYSA-N 1 2 321.384 1.964 50 30 DDEALO N#Cc1ccc(CN2CC[N@@H+](CCCc3cn[nH]c3)CC2=O)cc1 ZINC000072688004 191215677 /nfs/dbraw/zinc/21/56/77/191215677.db2.gz CUGVYKVYLSINMR-UHFFFAOYSA-N 1 2 323.400 1.558 50 30 DDEALO N#Cc1ccc(CN2CC[N@H+](CCCc3cn[nH]c3)CC2=O)cc1 ZINC000072688004 191215680 /nfs/dbraw/zinc/21/56/80/191215680.db2.gz CUGVYKVYLSINMR-UHFFFAOYSA-N 1 2 323.400 1.558 50 30 DDEALO CN1CC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1CCO ZINC000020997434 182258365 /nfs/dbraw/zinc/25/83/65/182258365.db2.gz BMZSSCYIDVUSNE-AWEZNQCLSA-N 1 2 322.474 1.369 50 30 DDEALO CN1CC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1CCO ZINC000020997434 182258366 /nfs/dbraw/zinc/25/83/66/182258366.db2.gz BMZSSCYIDVUSNE-AWEZNQCLSA-N 1 2 322.474 1.369 50 30 DDEALO N#Cc1cccc(OCC[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000069452820 406714335 /nfs/dbraw/zinc/71/43/35/406714335.db2.gz CKKBRVLWSGSSBO-SFHVURJKSA-N 1 2 315.417 1.734 50 30 DDEALO N#Cc1c(N)sc2c1CCN(c1cc(-n3cc[nH+]c3)ncn1)C2 ZINC000072293296 406879802 /nfs/dbraw/zinc/87/98/02/406879802.db2.gz ATNJQQKCNCZZEC-UHFFFAOYSA-N 1 2 323.385 1.740 50 30 DDEALO COc1c2c(cc3c1[C@H](C#CC(C)(C)O)[N@H+](C)CC3)OCO2 ZINC000020759080 406887416 /nfs/dbraw/zinc/88/74/16/406887416.db2.gz OROLHBZWRRMVSW-LBPRGKRZSA-N 1 2 303.358 1.727 50 30 DDEALO COc1c2c(cc3c1[C@H](C#CC(C)(C)O)[N@@H+](C)CC3)OCO2 ZINC000020759080 406887417 /nfs/dbraw/zinc/88/74/17/406887417.db2.gz OROLHBZWRRMVSW-LBPRGKRZSA-N 1 2 303.358 1.727 50 30 DDEALO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000097114848 407280936 /nfs/dbraw/zinc/28/09/36/407280936.db2.gz KUMCYBGOPAHCGY-KRWDZBQOSA-N 1 2 323.356 1.612 50 30 DDEALO C=CCCOCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000058130428 518701512 /nfs/dbraw/zinc/70/15/12/518701512.db2.gz NLPJDRXDTQEUDR-QGZVFWFLSA-N 1 2 318.417 1.596 50 30 DDEALO C=CCCOCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000058130428 518701521 /nfs/dbraw/zinc/70/15/21/518701521.db2.gz NLPJDRXDTQEUDR-QGZVFWFLSA-N 1 2 318.417 1.596 50 30 DDEALO C[C@@H]1CCc2nc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)sc2C1 ZINC000328826436 539299290 /nfs/dbraw/zinc/29/92/90/539299290.db2.gz JIKYDGRTUJRHLQ-MNOVXSKESA-N 1 2 324.450 1.924 50 30 DDEALO C[C@@H]1CCc2nc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)sc2C1 ZINC000328826436 539299291 /nfs/dbraw/zinc/29/92/91/539299291.db2.gz JIKYDGRTUJRHLQ-MNOVXSKESA-N 1 2 324.450 1.924 50 30 DDEALO CC(C)[N@@H+]1CCc2c(C#N)c(NCCCO)n3cnnc3c2C1 ZINC000020713876 182242778 /nfs/dbraw/zinc/24/27/78/182242778.db2.gz VROHYWSSZVEDFO-UHFFFAOYSA-N 1 2 314.393 1.162 50 30 DDEALO CC(C)[N@H+]1CCc2c(C#N)c(NCCCO)n3cnnc3c2C1 ZINC000020713876 182242781 /nfs/dbraw/zinc/24/27/81/182242781.db2.gz VROHYWSSZVEDFO-UHFFFAOYSA-N 1 2 314.393 1.162 50 30 DDEALO COCCNc1c(C#N)c2c(c3nncn31)C[N@@H+](C(C)C)CC2 ZINC000020713786 182243169 /nfs/dbraw/zinc/24/31/69/182243169.db2.gz IRXSWQUSPWZYHI-UHFFFAOYSA-N 1 2 314.393 1.426 50 30 DDEALO COCCNc1c(C#N)c2c(c3nncn31)C[N@H+](C(C)C)CC2 ZINC000020713786 182243171 /nfs/dbraw/zinc/24/31/71/182243171.db2.gz IRXSWQUSPWZYHI-UHFFFAOYSA-N 1 2 314.393 1.426 50 30 DDEALO C=C(C)CN(CC)C(=O)C1=C(C)NC(=O)N[C@H]1c1[nH]cc(C)[nH+]1 ZINC000065399180 184336896 /nfs/dbraw/zinc/33/68/96/184336896.db2.gz JUXZDDQATNYXOF-CYBMUJFWSA-N 1 2 317.393 1.771 50 30 DDEALO CCc1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000069700385 406756401 /nfs/dbraw/zinc/75/64/01/406756401.db2.gz QQVMCRKUGQTNGZ-UHFFFAOYSA-N 1 2 313.361 1.964 50 30 DDEALO CCc1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000069700385 406756406 /nfs/dbraw/zinc/75/64/06/406756406.db2.gz QQVMCRKUGQTNGZ-UHFFFAOYSA-N 1 2 313.361 1.964 50 30 DDEALO C#CCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2OC)CC1 ZINC000069771346 406768261 /nfs/dbraw/zinc/76/82/61/406768261.db2.gz DSCNSLVNJADXQX-AWEZNQCLSA-N 1 2 301.390 1.717 50 30 DDEALO C#CC[NH+]1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000089946535 407162708 /nfs/dbraw/zinc/16/27/08/407162708.db2.gz CTPICKNYPAUGPV-AWEZNQCLSA-N 1 2 303.381 1.712 50 30 DDEALO N#CCCN(CCc1ccccc1F)CC[NH+]1CCOCC1 ZINC000095945451 407216399 /nfs/dbraw/zinc/21/63/99/407216399.db2.gz UCBRUAAEJREPHA-UHFFFAOYSA-N 1 2 305.397 1.916 50 30 DDEALO N#CCC[N@@H+](CCc1ccccc1F)CCN1CCOCC1 ZINC000095945451 407216401 /nfs/dbraw/zinc/21/64/01/407216401.db2.gz UCBRUAAEJREPHA-UHFFFAOYSA-N 1 2 305.397 1.916 50 30 DDEALO N#CCC[N@H+](CCc1ccccc1F)CCN1CCOCC1 ZINC000095945451 407216403 /nfs/dbraw/zinc/21/64/03/407216403.db2.gz UCBRUAAEJREPHA-UHFFFAOYSA-N 1 2 305.397 1.916 50 30 DDEALO C#CC[N@H+](CC(=O)N[C@@H]1CCSC1=O)Cc1ccc(C)cc1 ZINC000096477769 407271100 /nfs/dbraw/zinc/27/11/00/407271100.db2.gz WRRIMUJDCZRKTD-OAHLLOKOSA-N 1 2 316.426 1.579 50 30 DDEALO C#CC[N@@H+](CC(=O)N[C@@H]1CCSC1=O)Cc1ccc(C)cc1 ZINC000096477769 407271101 /nfs/dbraw/zinc/27/11/01/407271101.db2.gz WRRIMUJDCZRKTD-OAHLLOKOSA-N 1 2 316.426 1.579 50 30 DDEALO CN(C)c1ncnc2c1C[N@H+](CCOc1ccc(C#N)cc1)CC2 ZINC000097202519 407287657 /nfs/dbraw/zinc/28/76/57/407287657.db2.gz WTZYMKYIJTVSGY-UHFFFAOYSA-N 1 2 323.400 1.851 50 30 DDEALO CN(C)c1ncnc2c1C[N@@H+](CCOc1ccc(C#N)cc1)CC2 ZINC000097202519 407287659 /nfs/dbraw/zinc/28/76/59/407287659.db2.gz WTZYMKYIJTVSGY-UHFFFAOYSA-N 1 2 323.400 1.851 50 30 DDEALO CCc1nc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)sc1C ZINC000329002032 410045266 /nfs/dbraw/zinc/04/52/66/410045266.db2.gz XSCHPNXMLUCMQZ-QWHCGFSZSA-N 1 2 324.450 1.964 50 30 DDEALO CCc1nc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)sc1C ZINC000329002032 410045270 /nfs/dbraw/zinc/04/52/70/410045270.db2.gz XSCHPNXMLUCMQZ-QWHCGFSZSA-N 1 2 324.450 1.964 50 30 DDEALO C=CC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000087107029 337377215 /nfs/dbraw/zinc/37/72/15/337377215.db2.gz FBQXNKDZXWZRHQ-GJZGRUSLSA-N 1 2 322.453 1.289 50 30 DDEALO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCc2c([nH+]cn2C)C1 ZINC000069696857 406758429 /nfs/dbraw/zinc/75/84/29/406758429.db2.gz BTEFJPYMOFIUGK-ZDUSSCGKSA-N 1 2 315.421 1.509 50 30 DDEALO C=CC[N@H+]1CCc2c(c(C(=O)NCc3ccccc3)nn2C)C1 ZINC000014731539 406876021 /nfs/dbraw/zinc/87/60/21/406876021.db2.gz PFOXHDCQJWCSET-UHFFFAOYSA-N 1 2 310.401 1.894 50 30 DDEALO C=CC[N@@H+]1CCc2c(c(C(=O)NCc3ccccc3)nn2C)C1 ZINC000014731539 406876024 /nfs/dbraw/zinc/87/60/24/406876024.db2.gz PFOXHDCQJWCSET-UHFFFAOYSA-N 1 2 310.401 1.894 50 30 DDEALO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCC2)cn1 ZINC000071797323 406844440 /nfs/dbraw/zinc/84/44/40/406844440.db2.gz CKNOHCFVKJHNEK-AWEZNQCLSA-N 1 2 301.394 1.510 50 30 DDEALO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCC2)cn1 ZINC000071797323 406844442 /nfs/dbraw/zinc/84/44/42/406844442.db2.gz CKNOHCFVKJHNEK-AWEZNQCLSA-N 1 2 301.394 1.510 50 30 DDEALO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccnc2)[C@@H](C#N)C1 ZINC000097049675 407277091 /nfs/dbraw/zinc/27/70/91/407277091.db2.gz NAOKORUFNUJYAB-KBPBESRZSA-N 1 2 302.378 1.930 50 30 DDEALO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160404823 408478214 /nfs/dbraw/zinc/47/82/14/408478214.db2.gz YPHOVAQXXXMVDT-HNNXBMFYSA-N 1 2 316.361 1.767 50 30 DDEALO N#Cc1cccnc1NCCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000084582081 483998020 /nfs/dbraw/zinc/99/80/20/483998020.db2.gz COMQPVOMMCSTSN-UHFFFAOYSA-N 1 2 321.384 1.497 50 30 DDEALO N#Cc1cc2n(n1)CCC[N@H+](C[C@@H]1COc3ccccc3O1)C2 ZINC000670446574 484834234 /nfs/dbraw/zinc/83/42/34/484834234.db2.gz SPOHRCWDUBXSEK-OAHLLOKOSA-N 1 2 310.357 1.800 50 30 DDEALO N#Cc1cc2n(n1)CCC[N@@H+](C[C@@H]1COc3ccccc3O1)C2 ZINC000670446574 484834235 /nfs/dbraw/zinc/83/42/35/484834235.db2.gz SPOHRCWDUBXSEK-OAHLLOKOSA-N 1 2 310.357 1.800 50 30 DDEALO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)CCCCC1 ZINC000032809735 526433369 /nfs/dbraw/zinc/43/33/69/526433369.db2.gz LBGHQMSNSRQPRS-AWEZNQCLSA-N 1 2 318.421 1.072 50 30 DDEALO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CCCCC1 ZINC000032809735 526433373 /nfs/dbraw/zinc/43/33/73/526433373.db2.gz LBGHQMSNSRQPRS-AWEZNQCLSA-N 1 2 318.421 1.072 50 30 DDEALO CCOC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000095435860 185364938 /nfs/dbraw/zinc/36/49/38/185364938.db2.gz BPOPXQXELLMFSI-UHFFFAOYSA-N 1 2 322.430 1.833 50 30 DDEALO Cc1ncoc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329986700 223059089 /nfs/dbraw/zinc/05/90/89/223059089.db2.gz SCGXUJLCHOYYEU-RYUDHWBXSA-N 1 2 321.356 1.634 50 30 DDEALO COCc1cc(=O)[nH]c(NC(=[NH2+])Nc2c(F)cccc2F)n1 ZINC000018179081 182097105 /nfs/dbraw/zinc/09/71/05/182097105.db2.gz FMLZAWVULLUWJZ-UHFFFAOYSA-N 1 2 309.276 1.253 50 30 DDEALO CC[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735669 407093266 /nfs/dbraw/zinc/09/32/66/407093266.db2.gz HKXZSQJNXJNCQH-HUUCEWRRSA-N 1 2 305.422 1.640 50 30 DDEALO C=CCn1cc(C[N@H+]2CCOC[C@H]2CC(=O)OCC)c(C)n1 ZINC000055036459 407192713 /nfs/dbraw/zinc/19/27/13/407192713.db2.gz WHTSYIRSPGJIQE-OAHLLOKOSA-N 1 2 307.394 1.532 50 30 DDEALO C=CCn1cc(C[N@@H+]2CCOC[C@H]2CC(=O)OCC)c(C)n1 ZINC000055036459 407192715 /nfs/dbraw/zinc/19/27/15/407192715.db2.gz WHTSYIRSPGJIQE-OAHLLOKOSA-N 1 2 307.394 1.532 50 30 DDEALO C#CC[NH+]1CCN(C(=O)NCc2cccc(NC(C)C)c2)CC1 ZINC000089906580 407156993 /nfs/dbraw/zinc/15/69/93/407156993.db2.gz DLZJPZDWHLZWRR-UHFFFAOYSA-N 1 2 314.433 1.967 50 30 DDEALO CC(C)(C)C(=O)OCC(=[NH2+])NOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004382739 518593114 /nfs/dbraw/zinc/59/31/14/518593114.db2.gz IFVIAGDOJMXKQU-UHFFFAOYSA-N 1 2 323.305 1.613 50 30 DDEALO NC(=[NH+]OCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020887343 526812809 /nfs/dbraw/zinc/81/28/09/526812809.db2.gz BJJZTWLEZIVOIL-UHFFFAOYSA-N 1 2 313.313 1.691 50 30 DDEALO COc1ccc(C(=O)ONC(=[NH2+])c2ccncc2)cc1OC ZINC000004193296 181083786 /nfs/dbraw/zinc/08/37/86/181083786.db2.gz YSUFCWUNNFANLD-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO Cc1c(C(=O)ONC(=[NH2+])c2ccncc2)cccc1[N+](=O)[O-] ZINC000018093521 182092551 /nfs/dbraw/zinc/09/25/51/182092551.db2.gz ABNPJIVPDOCCTD-UHFFFAOYSA-N 1 2 300.274 1.776 50 30 DDEALO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000058452410 184119298 /nfs/dbraw/zinc/11/92/98/184119298.db2.gz HGFDFNDSWJLCIN-ZDUSSCGKSA-N 1 2 302.378 1.709 50 30 DDEALO COc1ccc(/C=N/n2cnnc2)cc1C[NH+]1CCOCC1 ZINC000000443436 406648266 /nfs/dbraw/zinc/64/82/66/406648266.db2.gz WAZZYTKGWLTMRJ-GIJQJNRQSA-N 1 2 301.350 1.001 50 30 DDEALO COc1cccc(OCC(=O)ONC(=[NH2+])c2ccncc2)c1 ZINC000004192052 406722926 /nfs/dbraw/zinc/72/29/26/406722926.db2.gz JBWIWJUZCYKWRZ-UHFFFAOYSA-N 1 2 301.302 1.333 50 30 DDEALO Cc1nnc(NCc2ccc(N3CCOCC3)[nH+]c2)c(C#N)c1C ZINC000024055736 406891962 /nfs/dbraw/zinc/89/19/62/406891962.db2.gz VZGAQHYLEPXFGD-UHFFFAOYSA-N 1 2 324.388 1.809 50 30 DDEALO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000089505844 407137569 /nfs/dbraw/zinc/13/75/69/407137569.db2.gz ZHVUDFYUKPYDIH-UHFFFAOYSA-N 1 2 303.410 1.231 50 30 DDEALO C=CCn1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(C)n1 ZINC000097244078 407289694 /nfs/dbraw/zinc/28/96/94/407289694.db2.gz ZFWJPYYLIFLDTE-AWEZNQCLSA-N 1 2 311.451 1.634 50 30 DDEALO C=CCn1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(C)n1 ZINC000097244078 407289696 /nfs/dbraw/zinc/28/96/96/407289696.db2.gz ZFWJPYYLIFLDTE-AWEZNQCLSA-N 1 2 311.451 1.634 50 30 DDEALO C=CCNC(=O)C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000089893983 518891028 /nfs/dbraw/zinc/89/10/28/518891028.db2.gz WALUSMKPICBVDZ-UHFFFAOYSA-N 1 2 317.418 1.116 50 30 DDEALO CC(C)[C@H](C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400542 185354157 /nfs/dbraw/zinc/35/41/57/185354157.db2.gz IUPDDMZBPOMUAC-HOTGVXAUSA-N 1 2 301.390 1.552 50 30 DDEALO CC(C)[C@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400542 185354158 /nfs/dbraw/zinc/35/41/58/185354158.db2.gz IUPDDMZBPOMUAC-HOTGVXAUSA-N 1 2 301.390 1.552 50 30 DDEALO Cc1cc(C)c(C#N)c(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000020814508 182247940 /nfs/dbraw/zinc/24/79/40/182247940.db2.gz DVWDLVUSGSYDPH-UHFFFAOYSA-N 1 2 304.419 1.436 50 30 DDEALO Cn1ncc2c1nc[nH+]c2N1CCc2c(C#N)c(N)sc2C1 ZINC000012486751 406847227 /nfs/dbraw/zinc/84/72/27/406847227.db2.gz XFEPVWISZTYLTN-UHFFFAOYSA-N 1 2 311.374 1.441 50 30 DDEALO C#CCN(C[C@H]1CCCO1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000072268261 406876151 /nfs/dbraw/zinc/87/61/51/406876151.db2.gz NILIYKDOFZFSQJ-OAHLLOKOSA-N 1 2 316.405 1.543 50 30 DDEALO C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)n1cc[nH+]c1 ZINC000055742961 407206566 /nfs/dbraw/zinc/20/65/66/407206566.db2.gz XMDSDDHWAIQBKU-CQSZACIVSA-N 1 2 324.388 1.450 50 30 DDEALO CCCNC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000057381107 407215405 /nfs/dbraw/zinc/21/54/05/407215405.db2.gz LCEWOTZYKFEVRD-UHFFFAOYSA-N 1 2 304.369 1.346 50 30 DDEALO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@]([NH3+])(C(=O)[O-])C2)o1 ZINC000067909801 407290062 /nfs/dbraw/zinc/29/00/62/407290062.db2.gz UJDZFCJHOVXVIJ-QGZVFWFLSA-N 1 2 311.341 1.806 50 30 DDEALO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@]([NH3+])(C(=O)[O-])C2)o1 ZINC000067909801 407290064 /nfs/dbraw/zinc/29/00/64/407290064.db2.gz UJDZFCJHOVXVIJ-QGZVFWFLSA-N 1 2 311.341 1.806 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000252474580 280100824 /nfs/dbraw/zinc/10/08/24/280100824.db2.gz HTDGFFQDVKLWMX-XJKSGUPXSA-N 1 2 309.410 1.268 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000252474580 280100826 /nfs/dbraw/zinc/10/08/26/280100826.db2.gz HTDGFFQDVKLWMX-XJKSGUPXSA-N 1 2 309.410 1.268 50 30 DDEALO C=CC[NH+]1CCN(C(=O)[C@H]2N(C(C)C)C(=O)C23CCCC3)CC1 ZINC000581821611 761720780 /nfs/dbraw/zinc/72/07/80/761720780.db2.gz HDXLJWPIQABMPW-OAHLLOKOSA-N 1 2 319.449 1.496 50 30 DDEALO C#CCCC1(CCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)N=N1 ZINC000952880880 775633518 /nfs/dbraw/zinc/63/35/18/775633518.db2.gz JZPKWAKXJHZXNY-OKILXGFUSA-N 1 2 304.394 1.322 50 30 DDEALO C#CCCC1(CCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)N=N1 ZINC000952880880 775633528 /nfs/dbraw/zinc/63/35/28/775633528.db2.gz JZPKWAKXJHZXNY-OKILXGFUSA-N 1 2 304.394 1.322 50 30 DDEALO N#Cc1ccsc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000078788897 353532399 /nfs/dbraw/zinc/53/23/99/353532399.db2.gz CSDZSMHMMYBFKM-OLZOCXBDSA-N 1 2 305.403 1.291 50 30 DDEALO COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C#N)CC2)cc1 ZINC000042127833 183233789 /nfs/dbraw/zinc/23/37/89/183233789.db2.gz RPYJBIBYQNZZCF-UHFFFAOYSA-N 1 2 301.390 1.889 50 30 DDEALO C#CC[NH+]1CCN(C(=O)c2cccc(C(=O)NCCC)c2)CC1 ZINC000096420829 407263290 /nfs/dbraw/zinc/26/32/90/407263290.db2.gz ONBCZXGBPAVMJS-UHFFFAOYSA-N 1 2 313.401 1.217 50 30 DDEALO N#Cc1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000095988517 407221133 /nfs/dbraw/zinc/22/11/33/407221133.db2.gz FDXGVTXGRFJVNW-UHFFFAOYSA-N 1 2 311.389 1.699 50 30 DDEALO NC(=S)N/N=C1/c2ccccc2N(C[NH+]2CCCCC2)C1=O ZINC000100883721 295199834 /nfs/dbraw/zinc/19/98/34/295199834.db2.gz WWHVNEYGTDCYTJ-LGMDPLHJSA-N 1 2 317.418 1.014 50 30 DDEALO CN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000058213772 522668850 /nfs/dbraw/zinc/66/88/50/522668850.db2.gz UBIKMQOXXMXTNB-HNNXBMFYSA-N 1 2 314.389 1.462 50 30 DDEALO CN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000058213772 522668855 /nfs/dbraw/zinc/66/88/55/522668855.db2.gz UBIKMQOXXMXTNB-HNNXBMFYSA-N 1 2 314.389 1.462 50 30 DDEALO N#Cc1cccc(S(=O)(=O)NCc2[nH]c3c([nH+]2)CCCC3)c1 ZINC000952995599 721534933 /nfs/dbraw/zinc/53/49/33/721534933.db2.gz RCMJZSMXDMWTGD-UHFFFAOYSA-N 1 2 316.386 1.639 50 30 DDEALO N#Cc1cc(F)ccc1C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089992316 185275625 /nfs/dbraw/zinc/27/56/25/185275625.db2.gz NAIPUPMAKCBHCB-UHFFFAOYSA-N 1 2 311.382 1.198 50 30 DDEALO N#Cc1ccc(OC2CN(C(=O)NCCn3cc[nH+]c3)C2)cc1 ZINC000157338071 354224266 /nfs/dbraw/zinc/22/42/66/354224266.db2.gz DMBGZPNDRJGECA-UHFFFAOYSA-N 1 2 311.345 1.228 50 30 DDEALO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000024243340 182378306 /nfs/dbraw/zinc/37/83/06/182378306.db2.gz RUQAYZJOJICHFE-AWEZNQCLSA-N 1 2 312.417 1.343 50 30 DDEALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000024243340 182378308 /nfs/dbraw/zinc/37/83/08/182378308.db2.gz RUQAYZJOJICHFE-AWEZNQCLSA-N 1 2 312.417 1.343 50 30 DDEALO CCOCCN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000069739781 406764465 /nfs/dbraw/zinc/76/44/65/406764465.db2.gz PAEVGOHALYTSTQ-UHFFFAOYSA-N 1 2 303.406 1.591 50 30 DDEALO COC(=O)CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029228339 406922860 /nfs/dbraw/zinc/92/28/60/406922860.db2.gz QBKKJDCQAZCGSP-UHFFFAOYSA-N 1 2 304.350 1.109 50 30 DDEALO CCN(CCC#N)C(=O)C[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000052663008 407155570 /nfs/dbraw/zinc/15/55/70/407155570.db2.gz FUYKOFXYAOZYOW-UHFFFAOYSA-N 1 2 321.450 1.336 50 30 DDEALO C#CC[NH+]1CCN(C(=O)c2ccnc(O[C@@H](C)CC)c2)CC1 ZINC000096495071 407273155 /nfs/dbraw/zinc/27/31/55/407273155.db2.gz KPORTXVZHXRPBG-AWEZNQCLSA-N 1 2 301.390 1.650 50 30 DDEALO N#Cc1c(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cn2ccccc12 ZINC000097099916 407280099 /nfs/dbraw/zinc/28/00/99/407280099.db2.gz OGJIJUPEYMVHGN-UHFFFAOYSA-N 1 2 305.341 1.453 50 30 DDEALO N#Cc1c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cn2ccccc12 ZINC000097099916 407280102 /nfs/dbraw/zinc/28/01/02/407280102.db2.gz OGJIJUPEYMVHGN-UHFFFAOYSA-N 1 2 305.341 1.453 50 30 DDEALO CN(C)[C@H](C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1c[nH+]cn1C ZINC000328590042 289343003 /nfs/dbraw/zinc/34/30/03/289343003.db2.gz HZNSDOOFJUWXBH-MHEUCROKSA-N 1 2 318.421 1.937 50 30 DDEALO CCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080907689 519877000 /nfs/dbraw/zinc/87/70/00/519877000.db2.gz UMNJTPWHORNGTK-INIZCTEOSA-N 1 2 300.406 1.395 50 30 DDEALO [NH2+]=C(NOC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000013153234 526808030 /nfs/dbraw/zinc/80/80/30/526808030.db2.gz JBEZWUVZLJXVKU-UHFFFAOYSA-N 1 2 316.273 1.232 50 30 DDEALO [NH2+]=C(NOC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000004394836 181106683 /nfs/dbraw/zinc/10/66/83/181106683.db2.gz QBBJDKZHDXSZLT-UHFFFAOYSA-N 1 2 317.267 1.795 50 30 DDEALO NC(=S)N/[NH+]=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004181086 283396556 /nfs/dbraw/zinc/39/65/56/283396556.db2.gz VLBPUEZVYOLBRT-OQLLNIDSSA-N 1 2 307.379 1.752 50 30 DDEALO N#Cc1cccc(OCC[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000058155859 184081353 /nfs/dbraw/zinc/08/13/53/184081353.db2.gz AHZPEUWOWSGQGI-SFHVURJKSA-N 1 2 321.380 1.849 50 30 DDEALO N#Cc1cccc(OCC[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000058155859 184081354 /nfs/dbraw/zinc/08/13/54/184081354.db2.gz AHZPEUWOWSGQGI-SFHVURJKSA-N 1 2 321.380 1.849 50 30 DDEALO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NC)CC2)c1C ZINC000069518440 406729924 /nfs/dbraw/zinc/72/99/24/406729924.db2.gz PFYNJNKKLYYMLD-UHFFFAOYSA-N 1 2 317.433 1.932 50 30 DDEALO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000185525067 407446797 /nfs/dbraw/zinc/44/67/97/407446797.db2.gz VPIGPMYLUDBNKQ-UKRRQHHQSA-N 1 2 302.374 1.596 50 30 DDEALO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000185525067 407446799 /nfs/dbraw/zinc/44/67/99/407446799.db2.gz VPIGPMYLUDBNKQ-UKRRQHHQSA-N 1 2 302.374 1.596 50 30 DDEALO N#Cc1cc2n(n1)CCC[N@H+](C[C@H]1COc3ccccc3O1)C2 ZINC000670446573 484834588 /nfs/dbraw/zinc/83/45/88/484834588.db2.gz SPOHRCWDUBXSEK-HNNXBMFYSA-N 1 2 310.357 1.800 50 30 DDEALO N#Cc1cc2n(n1)CCC[N@@H+](C[C@H]1COc3ccccc3O1)C2 ZINC000670446573 484834593 /nfs/dbraw/zinc/83/45/93/484834593.db2.gz SPOHRCWDUBXSEK-HNNXBMFYSA-N 1 2 310.357 1.800 50 30 DDEALO CC(C)[C@@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400543 185353979 /nfs/dbraw/zinc/35/39/79/185353979.db2.gz IUPDDMZBPOMUAC-HZPDHXFCSA-N 1 2 301.390 1.552 50 30 DDEALO CC(C)[C@@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400543 185353980 /nfs/dbraw/zinc/35/39/80/185353980.db2.gz IUPDDMZBPOMUAC-HZPDHXFCSA-N 1 2 301.390 1.552 50 30 DDEALO CC[N@H+](CC(=O)N(C)CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000030967601 406936463 /nfs/dbraw/zinc/93/64/63/406936463.db2.gz RVMALQZXHRUZCO-UHFFFAOYSA-N 1 2 304.350 1.789 50 30 DDEALO CC[N@@H+](CC(=O)N(C)CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000030967601 406936465 /nfs/dbraw/zinc/93/64/65/406936465.db2.gz RVMALQZXHRUZCO-UHFFFAOYSA-N 1 2 304.350 1.789 50 30 DDEALO N#Cc1c[nH]c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000177582894 408663434 /nfs/dbraw/zinc/66/34/34/408663434.db2.gz GZPZOPVOFYARDB-UHFFFAOYSA-N 1 2 310.357 1.971 50 30 DDEALO N#Cc1ccc(N2CC[NH+](CCOCCO)CC2)c(Cl)c1 ZINC000277626679 408979762 /nfs/dbraw/zinc/97/97/62/408979762.db2.gz AUJFTRHGYVLFQW-UHFFFAOYSA-N 1 2 309.797 1.343 50 30 DDEALO C=CCOc1ccc(C[N@@H+](C)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000023384630 519032785 /nfs/dbraw/zinc/03/27/85/519032785.db2.gz JYMLLROEKBQYQX-UHFFFAOYSA-N 1 2 317.345 1.061 50 30 DDEALO C=CCOc1ccc(C[N@H+](C)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000023384630 519032789 /nfs/dbraw/zinc/03/27/89/519032789.db2.gz JYMLLROEKBQYQX-UHFFFAOYSA-N 1 2 317.345 1.061 50 30 DDEALO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000057286386 525135687 /nfs/dbraw/zinc/13/56/87/525135687.db2.gz MJJLRDDBXCOTKQ-GOSISDBHSA-N 1 2 312.417 1.617 50 30 DDEALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C#N)C1 ZINC000006154614 181316908 /nfs/dbraw/zinc/31/69/08/181316908.db2.gz ONVOSJHJBKZBCM-CQSZACIVSA-N 1 2 315.373 1.772 50 30 DDEALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C#N)C1 ZINC000006154614 181316911 /nfs/dbraw/zinc/31/69/11/181316911.db2.gz ONVOSJHJBKZBCM-CQSZACIVSA-N 1 2 315.373 1.772 50 30 DDEALO CCOC(=O)c1cnn(-c2ccc(Cl)nn2)c1/[NH+]=C/N(C)C ZINC000001811748 406678098 /nfs/dbraw/zinc/67/80/98/406678098.db2.gz DXCHXZSHKAFKDR-OVCLIPMQSA-N 1 2 322.756 1.714 50 30 DDEALO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000072898000 406886459 /nfs/dbraw/zinc/88/64/59/406886459.db2.gz OAGZJCMEGGCPRB-GJZGRUSLSA-N 1 2 312.373 1.310 50 30 DDEALO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000072898000 406886461 /nfs/dbraw/zinc/88/64/61/406886461.db2.gz OAGZJCMEGGCPRB-GJZGRUSLSA-N 1 2 312.373 1.310 50 30 DDEALO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCC2)cn1 ZINC000071797324 406844375 /nfs/dbraw/zinc/84/43/75/406844375.db2.gz CKNOHCFVKJHNEK-CQSZACIVSA-N 1 2 301.394 1.510 50 30 DDEALO Cn1cc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCC2)cn1 ZINC000071797324 406844378 /nfs/dbraw/zinc/84/43/78/406844378.db2.gz CKNOHCFVKJHNEK-CQSZACIVSA-N 1 2 301.394 1.510 50 30 DDEALO Cc1nnc(Nc2ccc(N3CCOCC3)[nH+]c2)c(C#N)c1C ZINC000044714638 407029004 /nfs/dbraw/zinc/02/90/04/407029004.db2.gz VUILHQUVQVAQNO-UHFFFAOYSA-N 1 2 310.361 1.940 50 30 DDEALO COC(=O)[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000089620886 407141715 /nfs/dbraw/zinc/14/17/15/407141715.db2.gz PCJQNHWBBWHFDL-OAHLLOKOSA-N 1 2 302.374 1.862 50 30 DDEALO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000089620886 407141717 /nfs/dbraw/zinc/14/17/17/407141717.db2.gz PCJQNHWBBWHFDL-OAHLLOKOSA-N 1 2 302.374 1.862 50 30 DDEALO CC[N@H+](CC(=O)N1CCNC1=O)Cc1ccc(C#N)cc1F ZINC000052824744 407157398 /nfs/dbraw/zinc/15/73/98/407157398.db2.gz LVWKJTZJCWQJFP-UHFFFAOYSA-N 1 2 304.325 1.071 50 30 DDEALO CC[N@@H+](CC(=O)N1CCNC1=O)Cc1ccc(C#N)cc1F ZINC000052824744 407157399 /nfs/dbraw/zinc/15/73/99/407157399.db2.gz LVWKJTZJCWQJFP-UHFFFAOYSA-N 1 2 304.325 1.071 50 30 DDEALO N#Cc1ccc(CN2CC[N@@H+](CCCn3ccnc3)CC2=O)cc1 ZINC000096493075 407272207 /nfs/dbraw/zinc/27/22/07/407272207.db2.gz NTQVPPSOYKISFD-UHFFFAOYSA-N 1 2 323.400 1.489 50 30 DDEALO N#Cc1ccc(CN2CC[N@H+](CCCn3ccnc3)CC2=O)cc1 ZINC000096493075 407272208 /nfs/dbraw/zinc/27/22/08/407272208.db2.gz NTQVPPSOYKISFD-UHFFFAOYSA-N 1 2 323.400 1.489 50 30 DDEALO N#Cc1ccc(CN2CCN(CCCn3cc[nH+]c3)CC2=O)cc1 ZINC000096493075 407272210 /nfs/dbraw/zinc/27/22/10/407272210.db2.gz NTQVPPSOYKISFD-UHFFFAOYSA-N 1 2 323.400 1.489 50 30 DDEALO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cccnc2)C1 ZINC000097049671 407277089 /nfs/dbraw/zinc/27/70/89/407277089.db2.gz NAOKORUFNUJYAB-UONOGXRCSA-N 1 2 302.378 1.930 50 30 DDEALO C#CCC[NH+]1CCN(C(=O)c2cccnc2C(F)(F)F)CC1 ZINC000170607663 407450930 /nfs/dbraw/zinc/45/09/30/407450930.db2.gz WYILHQHRTJWUHZ-UHFFFAOYSA-N 1 2 311.307 1.882 50 30 DDEALO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c[nH]1 ZINC000332132367 409912596 /nfs/dbraw/zinc/91/25/96/409912596.db2.gz ZQUKZSHJYYHPLN-UHFFFAOYSA-N 1 2 300.387 1.906 50 30 DDEALO C#CCCC1(CCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)N=N1 ZINC000952881173 775635176 /nfs/dbraw/zinc/63/51/76/775635176.db2.gz LGWFHDAGYLHBGA-LSDHHAIUSA-N 1 2 318.421 1.664 50 30 DDEALO C#CCn1cc(C[N@@H+](C)[C@H]2CCc3ccccc3NC2=O)cn1 ZINC000225399228 354317840 /nfs/dbraw/zinc/31/78/40/354317840.db2.gz SXJARAJMQFWHHU-KRWDZBQOSA-N 1 2 308.385 1.902 50 30 DDEALO C#CCn1cc(C[N@H+](C)[C@H]2CCc3ccccc3NC2=O)cn1 ZINC000225399228 354317845 /nfs/dbraw/zinc/31/78/45/354317845.db2.gz SXJARAJMQFWHHU-KRWDZBQOSA-N 1 2 308.385 1.902 50 30 DDEALO N#Cc1c(N)n(CC[NH+]2CCOCC2)c2nc3ccccc3nc12 ZINC000020029638 283077454 /nfs/dbraw/zinc/07/74/54/283077454.db2.gz KPOZLMZIMGSNNP-UHFFFAOYSA-N 1 2 322.372 1.371 50 30 DDEALO CC(C)(C)OC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000058421672 184116633 /nfs/dbraw/zinc/11/66/33/184116633.db2.gz FIKQMBYTWHYUAJ-UHFFFAOYSA-N 1 2 316.405 1.807 50 30 DDEALO CC(C)(C)OC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000058421672 184116635 /nfs/dbraw/zinc/11/66/35/184116635.db2.gz FIKQMBYTWHYUAJ-UHFFFAOYSA-N 1 2 316.405 1.807 50 30 DDEALO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cn1 ZINC000071797353 406844333 /nfs/dbraw/zinc/84/43/33/406844333.db2.gz RVHRUWMDKYUPRT-GDBMZVCRSA-N 1 2 301.394 1.365 50 30 DDEALO Cn1cc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cn1 ZINC000071797353 406844335 /nfs/dbraw/zinc/84/43/35/406844335.db2.gz RVHRUWMDKYUPRT-GDBMZVCRSA-N 1 2 301.394 1.365 50 30 DDEALO O=C(NC1(CO)Cc2ccccc2C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328602913 409933184 /nfs/dbraw/zinc/93/31/84/409933184.db2.gz HITUTXXCFVONGB-CYBMUJFWSA-N 1 2 311.385 1.932 50 30 DDEALO C[N@@H+](CC(N)=O)C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCO1 ZINC000328586550 529824677 /nfs/dbraw/zinc/82/46/77/529824677.db2.gz DCAHWBDOOZMXTA-AWEZNQCLSA-N 1 2 320.368 1.365 50 30 DDEALO C[N@H+](CC(N)=O)C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCO1 ZINC000328586550 529824678 /nfs/dbraw/zinc/82/46/78/529824678.db2.gz DCAHWBDOOZMXTA-AWEZNQCLSA-N 1 2 320.368 1.365 50 30 DDEALO Cc1cc(C)c(C#N)c(N2CCC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000072141812 191048803 /nfs/dbraw/zinc/04/88/03/191048803.db2.gz BNORKNPFIYAOHX-OAHLLOKOSA-N 1 2 300.406 1.871 50 30 DDEALO Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000078899616 353539715 /nfs/dbraw/zinc/53/97/15/353539715.db2.gz GVOKZNKGZQWHCX-KBPBESRZSA-N 1 2 302.382 1.328 50 30 DDEALO Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000078899616 353539717 /nfs/dbraw/zinc/53/97/17/353539717.db2.gz GVOKZNKGZQWHCX-KBPBESRZSA-N 1 2 302.382 1.328 50 30 DDEALO CS(=O)(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000024926095 182395305 /nfs/dbraw/zinc/39/53/05/182395305.db2.gz QDQCCLOIUMXSCW-UHFFFAOYSA-N 1 2 311.382 1.165 50 30 DDEALO CS(=O)(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000024926095 182395307 /nfs/dbraw/zinc/39/53/07/182395307.db2.gz QDQCCLOIUMXSCW-UHFFFAOYSA-N 1 2 311.382 1.165 50 30 DDEALO CC(=O)C1=C(O)C(=O)N(CCc2c[nH+]c[nH]2)[C@@H]1c1ccccc1 ZINC000004625501 406726331 /nfs/dbraw/zinc/72/63/31/406726331.db2.gz WCAJRQABQQQHBZ-OAHLLOKOSA-N 1 2 311.341 1.937 50 30 DDEALO CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c[nH+]2)[C@@H]1c1ccccc1 ZINC000004625501 406726342 /nfs/dbraw/zinc/72/63/42/406726342.db2.gz WCAJRQABQQQHBZ-OAHLLOKOSA-N 1 2 311.341 1.937 50 30 DDEALO CNc1cc(N2CCC[C@H]2CNc2cnccc2C#N)nc[nH+]1 ZINC000089395965 407133473 /nfs/dbraw/zinc/13/34/73/407133473.db2.gz IDLLPUHPGLGJCW-ZDUSSCGKSA-N 1 2 309.377 1.866 50 30 DDEALO CNc1cc(N2CCC[C@H]2CNc2cnccc2C#N)[nH+]cn1 ZINC000089395965 407133475 /nfs/dbraw/zinc/13/34/75/407133475.db2.gz IDLLPUHPGLGJCW-ZDUSSCGKSA-N 1 2 309.377 1.866 50 30 DDEALO C=CC[N@H+](CC(=O)N1CCNC1=O)Cc1ccc(Cl)s1 ZINC000052710193 407155178 /nfs/dbraw/zinc/15/51/78/407155178.db2.gz LYIUZYLDLVENBW-UHFFFAOYSA-N 1 2 313.810 1.941 50 30 DDEALO C=CC[N@@H+](CC(=O)N1CCNC1=O)Cc1ccc(Cl)s1 ZINC000052710193 407155181 /nfs/dbraw/zinc/15/51/81/407155181.db2.gz LYIUZYLDLVENBW-UHFFFAOYSA-N 1 2 313.810 1.941 50 30 DDEALO NC(=S)N/[NH+]=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000033909118 303353599 /nfs/dbraw/zinc/35/35/99/303353599.db2.gz VLBPUEZVYOLBRT-DHDCSXOGSA-N 1 2 307.379 1.752 50 30 DDEALO C=CCO[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068756996 518999362 /nfs/dbraw/zinc/99/93/62/518999362.db2.gz YVWJGNGPSXHJPP-WBVHZDCISA-N 1 2 318.417 1.595 50 30 DDEALO C=CCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068756996 518999368 /nfs/dbraw/zinc/99/93/68/518999368.db2.gz YVWJGNGPSXHJPP-WBVHZDCISA-N 1 2 318.417 1.595 50 30 DDEALO C=CCCCS(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000874434051 705064048 /nfs/dbraw/zinc/06/40/48/705064048.db2.gz YMUHQASMFPBEAL-UHFFFAOYSA-N 1 2 323.462 1.538 50 30 DDEALO COc1ccc(C(=O)ONC(=[NH2+])c2cccnc2)cc1OC ZINC000004171324 406722517 /nfs/dbraw/zinc/72/25/17/406722517.db2.gz QGGMLORAAYMXCC-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO C[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)N1CCC(O)CC1 ZINC000089335278 407131710 /nfs/dbraw/zinc/13/17/10/407131710.db2.gz KTPKCRZCGHOSHO-UHFFFAOYSA-N 1 2 320.820 1.607 50 30 DDEALO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)N1CCC(O)CC1 ZINC000089335278 407131712 /nfs/dbraw/zinc/13/17/12/407131712.db2.gz KTPKCRZCGHOSHO-UHFFFAOYSA-N 1 2 320.820 1.607 50 30 DDEALO C=CC[C@]1(CO)CCCN(C(=O)C[N@@H+](C)Cc2ccncc2)C1 ZINC000091254952 407182180 /nfs/dbraw/zinc/18/21/80/407182180.db2.gz UMUUXVOVFTXFIX-SFHVURJKSA-N 1 2 317.433 1.691 50 30 DDEALO C=CC[C@]1(CO)CCCN(C(=O)C[N@H+](C)Cc2ccncc2)C1 ZINC000091254952 407182181 /nfs/dbraw/zinc/18/21/81/407182181.db2.gz UMUUXVOVFTXFIX-SFHVURJKSA-N 1 2 317.433 1.691 50 30 DDEALO O=C1c2ccccc2C(=O)C1=CNCCC[NH+]1CCOCC1 ZINC000100488661 407307982 /nfs/dbraw/zinc/30/79/82/407307982.db2.gz ZXRWYLXZEMIDBU-UHFFFAOYSA-N 1 2 300.358 1.261 50 30 DDEALO C=C[C@H](CO)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000253419540 407445687 /nfs/dbraw/zinc/44/56/87/407445687.db2.gz OQHUVQYYTANZEN-HUUCEWRRSA-N 1 2 306.431 1.440 50 30 DDEALO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000154705398 408072823 /nfs/dbraw/zinc/07/28/23/408072823.db2.gz AMYAFHPRMGPCFX-UHFFFAOYSA-N 1 2 313.361 1.630 50 30 DDEALO CCCCNc1nc(NCCCO)c(C#N)c2c1C[N@H+](C)CC2 ZINC000005824824 418413202 /nfs/dbraw/zinc/41/32/02/418413202.db2.gz NFHOGRPCIJHTRB-UHFFFAOYSA-N 1 2 317.437 1.947 50 30 DDEALO CCCCNc1nc(NCCCO)c(C#N)c2c1C[N@@H+](C)CC2 ZINC000005824824 418413203 /nfs/dbraw/zinc/41/32/03/418413203.db2.gz NFHOGRPCIJHTRB-UHFFFAOYSA-N 1 2 317.437 1.947 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058265331 184096033 /nfs/dbraw/zinc/09/60/33/184096033.db2.gz PUMSSPWEPQYGDS-INIZCTEOSA-N 1 2 303.410 1.644 50 30 DDEALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C2 ZINC000065474250 184351401 /nfs/dbraw/zinc/35/14/01/184351401.db2.gz ZWWIUWCQPJGQKU-HIFRSBDPSA-N 1 2 324.384 1.962 50 30 DDEALO N#Cc1ccc(N2CC[NH+](CCN3CCOC3=O)CC2)c(F)c1 ZINC000069349510 406698163 /nfs/dbraw/zinc/69/81/63/406698163.db2.gz INKFNHOCEJBPTJ-UHFFFAOYSA-N 1 2 318.352 1.272 50 30 DDEALO C#CCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2OC)CC1 ZINC000069771348 406768139 /nfs/dbraw/zinc/76/81/39/406768139.db2.gz DSCNSLVNJADXQX-CQSZACIVSA-N 1 2 301.390 1.717 50 30 DDEALO CSc1nc(N2CCOCC2)c2c(c1C#N)CC[N@@H+](C)C2 ZINC000022298909 406890899 /nfs/dbraw/zinc/89/08/99/406890899.db2.gz LGIHWSBCLQMDPV-UHFFFAOYSA-N 1 2 304.419 1.500 50 30 DDEALO CSc1nc(N2CCOCC2)c2c(c1C#N)CC[N@H+](C)C2 ZINC000022298909 406890903 /nfs/dbraw/zinc/89/09/03/406890903.db2.gz LGIHWSBCLQMDPV-UHFFFAOYSA-N 1 2 304.419 1.500 50 30 DDEALO Cc1noc(C)c1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000330476406 534317720 /nfs/dbraw/zinc/31/77/20/534317720.db2.gz HMGZYXHJYXJAFQ-UHFFFAOYSA-N 1 2 307.354 1.976 50 30 DDEALO C=CCOc1ccccc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000585131123 771964292 /nfs/dbraw/zinc/96/42/92/771964292.db2.gz MKROKCMRJAIUHW-ZDUSSCGKSA-N 1 2 301.346 1.448 50 30 DDEALO Cc1nnc(NCc2cc[nH+]c(N3CCOCC3)c2)c(C#N)c1C ZINC000026717107 406906011 /nfs/dbraw/zinc/90/60/11/406906011.db2.gz APQVUPHCUYMOMJ-UHFFFAOYSA-N 1 2 324.388 1.809 50 30 DDEALO C#CC[NH+]1CCN(C(=O)NC[C@H]2CCOc3ccccc32)CC1 ZINC000089897211 407156221 /nfs/dbraw/zinc/15/62/21/407156221.db2.gz YRZYHRLWEIQWTH-OAHLLOKOSA-N 1 2 313.401 1.513 50 30 DDEALO CN(Cc1cccc(C#N)c1)c1[nH+]cnc2c1cnn2CCO ZINC000097199921 407286727 /nfs/dbraw/zinc/28/67/27/407286727.db2.gz PSZVQSOTNJLRGI-UHFFFAOYSA-N 1 2 308.345 1.327 50 30 DDEALO C=CCn1cc(C[NH2+][C@H](C)c2nncn2CCCOC)c(C)n1 ZINC000055402097 519283282 /nfs/dbraw/zinc/28/32/82/519283282.db2.gz CEGKGXSNQMBJBR-CQSZACIVSA-N 1 2 318.425 1.856 50 30 DDEALO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1C#N ZINC000081015906 353645349 /nfs/dbraw/zinc/64/53/49/353645349.db2.gz LNVMSWCBYOERPX-CQSZACIVSA-N 1 2 309.797 1.341 50 30 DDEALO CNc1cc(N2CCC[C@@H]2CNc2cnccc2C#N)nc[nH+]1 ZINC000089395962 192780023 /nfs/dbraw/zinc/78/00/23/192780023.db2.gz IDLLPUHPGLGJCW-CYBMUJFWSA-N 1 2 309.377 1.866 50 30 DDEALO CNc1cc(N2CCC[C@@H]2CNc2cnccc2C#N)[nH+]cn1 ZINC000089395962 192780025 /nfs/dbraw/zinc/78/00/25/192780025.db2.gz IDLLPUHPGLGJCW-CYBMUJFWSA-N 1 2 309.377 1.866 50 30 DDEALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C#N)C1 ZINC000006154853 181316815 /nfs/dbraw/zinc/31/68/15/181316815.db2.gz ONVOSJHJBKZBCM-AWEZNQCLSA-N 1 2 315.373 1.772 50 30 DDEALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C#N)C1 ZINC000006154853 181316817 /nfs/dbraw/zinc/31/68/17/181316817.db2.gz ONVOSJHJBKZBCM-AWEZNQCLSA-N 1 2 315.373 1.772 50 30 DDEALO N#Cc1cccnc1N1CCC[N@H+](Cc2nnc(C3CC3)o2)CC1 ZINC000071824869 406847072 /nfs/dbraw/zinc/84/70/72/406847072.db2.gz UOTXGTJFICXSQH-UHFFFAOYSA-N 1 2 324.388 1.926 50 30 DDEALO N#Cc1cccnc1N1CCC[N@@H+](Cc2nnc(C3CC3)o2)CC1 ZINC000071824869 406847074 /nfs/dbraw/zinc/84/70/74/406847074.db2.gz UOTXGTJFICXSQH-UHFFFAOYSA-N 1 2 324.388 1.926 50 30 DDEALO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000096714521 407275024 /nfs/dbraw/zinc/27/50/24/407275024.db2.gz BJRWPOFVDSMMIK-UHFFFAOYSA-N 1 2 303.410 1.023 50 30 DDEALO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346839 518905563 /nfs/dbraw/zinc/90/55/63/518905563.db2.gz QIGUFGUDWZSHPG-UHFFFAOYSA-N 1 2 306.322 1.038 50 30 DDEALO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346839 518905569 /nfs/dbraw/zinc/90/55/69/518905569.db2.gz QIGUFGUDWZSHPG-UHFFFAOYSA-N 1 2 306.322 1.038 50 30 DDEALO COc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000050108225 407127734 /nfs/dbraw/zinc/12/77/34/407127734.db2.gz WWAHYQIWAKDQAT-GFCCVEGCSA-N 1 2 318.377 1.409 50 30 DDEALO C#CC[NH+]1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000089897210 407156043 /nfs/dbraw/zinc/15/60/43/407156043.db2.gz YRZYHRLWEIQWTH-HNNXBMFYSA-N 1 2 313.401 1.513 50 30 DDEALO Cc1nc([C@H]2CCN(Cc3ccccc3C#N)C[C@H]2[NH+](C)C)n[nH]1 ZINC000575541542 422302179 /nfs/dbraw/zinc/30/21/79/422302179.db2.gz FBRGNTWYSIKJAJ-DLBZAZTESA-N 1 2 324.432 1.905 50 30 DDEALO CCc1c[nH+]c(C)nc1N1CCN(c2nccnc2C#N)CC1 ZINC000065397914 281470038 /nfs/dbraw/zinc/47/00/38/281470038.db2.gz MUZUKWVXYRTENA-UHFFFAOYSA-N 1 2 309.377 1.336 50 30 DDEALO CCn1c[nH+]cc1CNC(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000952988295 721532757 /nfs/dbraw/zinc/53/27/57/721532757.db2.gz PPGKOVOGOKJAIL-UHFFFAOYSA-N 1 2 311.385 1.955 50 30 DDEALO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000032927704 283184895 /nfs/dbraw/zinc/18/48/95/283184895.db2.gz CBVHISXMKCDCJY-CQSZACIVSA-N 1 2 305.403 1.417 50 30 DDEALO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000032927704 283184899 /nfs/dbraw/zinc/18/48/99/283184899.db2.gz CBVHISXMKCDCJY-CQSZACIVSA-N 1 2 305.403 1.417 50 30 DDEALO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c(Cl)c1 ZINC000331235120 223195375 /nfs/dbraw/zinc/19/53/75/223195375.db2.gz DQYCIDZXMXBMDX-GFCCVEGCSA-N 1 2 312.797 1.646 50 30 DDEALO C/C(=N\CC[NH+]1CCOCC1)c1cc2ccccc2oc1=O ZINC000019203369 182107546 /nfs/dbraw/zinc/10/75/46/182107546.db2.gz OTZKWMKLZISFDQ-QGOAFFKASA-N 1 2 300.358 1.934 50 30 DDEALO CC(C)[N@@H+]1CCc2c(C#N)c(NCCCO)n3ncnc3c2C1 ZINC000020677578 182242557 /nfs/dbraw/zinc/24/25/57/182242557.db2.gz MDZQEUVIJXDILT-UHFFFAOYSA-N 1 2 314.393 1.162 50 30 DDEALO CC(C)[N@H+]1CCc2c(C#N)c(NCCCO)n3ncnc3c2C1 ZINC000020677578 182242560 /nfs/dbraw/zinc/24/25/60/182242560.db2.gz MDZQEUVIJXDILT-UHFFFAOYSA-N 1 2 314.393 1.162 50 30 DDEALO N#CC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000057210231 184029397 /nfs/dbraw/zinc/02/93/97/184029397.db2.gz KHNPHTZUFQZRSW-MRXNPFEDSA-N 1 2 323.462 1.394 50 30 DDEALO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3cncnc3C2)cc1 ZINC000069632826 406748063 /nfs/dbraw/zinc/74/80/63/406748063.db2.gz XFEPBSIPJRZNGC-OAHLLOKOSA-N 1 2 310.357 1.146 50 30 DDEALO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3cncnc3C2)cc1 ZINC000069632826 406748068 /nfs/dbraw/zinc/74/80/68/406748068.db2.gz XFEPBSIPJRZNGC-OAHLLOKOSA-N 1 2 310.357 1.146 50 30 DDEALO C=CCNC(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000069698704 406757667 /nfs/dbraw/zinc/75/76/67/406757667.db2.gz ISMNFJSHNJQVNQ-UHFFFAOYSA-N 1 2 318.808 1.636 50 30 DDEALO [NH2+]=C(NOC(=O)COc1ccccc1Cl)c1ccncc1 ZINC000005042459 406729983 /nfs/dbraw/zinc/72/99/83/406729983.db2.gz IFZDNXDBIFDJCS-UHFFFAOYSA-N 1 2 305.721 1.978 50 30 DDEALO N#CC1(NC(=O)C[N@@H+](CC(N)=O)C2CCCC2)CCCCCC1 ZINC000071828146 406848505 /nfs/dbraw/zinc/84/85/05/406848505.db2.gz VKMGALKXRCENPP-UHFFFAOYSA-N 1 2 320.437 1.449 50 30 DDEALO N#CC1(NC(=O)C[N@H+](CC(N)=O)C2CCCC2)CCCCCC1 ZINC000071828146 406848508 /nfs/dbraw/zinc/84/85/08/406848508.db2.gz VKMGALKXRCENPP-UHFFFAOYSA-N 1 2 320.437 1.449 50 30 DDEALO CCOC(=O)/C(C[NH+]1CCN(c2ccc(F)cc2)CC1)=N\OC ZINC000020405031 406888087 /nfs/dbraw/zinc/88/80/87/406888087.db2.gz SRVCVNNQOQHCPE-SDXDJHTJSA-N 1 2 323.368 1.513 50 30 DDEALO N#Cc1cccc(CNc2ccc(N3CCNC(=O)C3)[nH+]c2)c1 ZINC000095986260 407221443 /nfs/dbraw/zinc/22/14/43/407221443.db2.gz LUVVGZHYEXEJSM-UHFFFAOYSA-N 1 2 307.357 1.502 50 30 DDEALO Cc1ccccc1CC(N)=[NH+]OCc1ncc([N+](=O)[O-])n1C ZINC000121189309 696707230 /nfs/dbraw/zinc/70/72/30/696707230.db2.gz FXJVUMYGHMAYLE-UHFFFAOYSA-N 1 2 303.322 1.668 50 30 DDEALO C#Cc1ccc(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1 ZINC000585122240 771953035 /nfs/dbraw/zinc/95/30/35/771953035.db2.gz SGFLZGPNRWISEM-INIZCTEOSA-N 1 2 323.396 1.452 50 30 DDEALO CC1(C)Cc2nc(NCC[NH+]3CCOCC3)c(C#N)cc2CO1 ZINC000020841586 182248559 /nfs/dbraw/zinc/24/85/59/182248559.db2.gz VYIOKQMROPCYDK-UHFFFAOYSA-N 1 2 316.405 1.549 50 30 DDEALO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000071921285 406867889 /nfs/dbraw/zinc/86/78/89/406867889.db2.gz VVMFPSONPYIBJY-OAHLLOKOSA-N 1 2 315.373 1.571 50 30 DDEALO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000071921285 406867891 /nfs/dbraw/zinc/86/78/91/406867891.db2.gz VVMFPSONPYIBJY-OAHLLOKOSA-N 1 2 315.373 1.571 50 30 DDEALO C=CCOc1ccc(C[N@@H+](C)Cc2nc(N)nc(N)n2)cc1 ZINC000034867914 406965431 /nfs/dbraw/zinc/96/54/31/406965431.db2.gz MQJDUTDIEKKGGV-UHFFFAOYSA-N 1 2 300.366 1.233 50 30 DDEALO C=CCOc1ccc(C[N@H+](C)Cc2nc(N)nc(N)n2)cc1 ZINC000034867914 406965433 /nfs/dbraw/zinc/96/54/33/406965433.db2.gz MQJDUTDIEKKGGV-UHFFFAOYSA-N 1 2 300.366 1.233 50 30 DDEALO O=C(NCC#CC[NH+]1CCOCC1)NCCCc1ccccc1 ZINC000075164928 406925947 /nfs/dbraw/zinc/92/59/47/406925947.db2.gz PWJXCRHHKIUAQL-UHFFFAOYSA-N 1 2 315.417 1.254 50 30 DDEALO C#CC[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000050507741 407131057 /nfs/dbraw/zinc/13/10/57/407131057.db2.gz UJJQKDCOWADRHN-UHFFFAOYSA-N 1 2 304.390 1.463 50 30 DDEALO C#CCN1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000050507741 407131058 /nfs/dbraw/zinc/13/10/58/407131058.db2.gz UJJQKDCOWADRHN-UHFFFAOYSA-N 1 2 304.390 1.463 50 30 DDEALO C=CCN1C(=O)C[NH2+]C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000096210936 407250641 /nfs/dbraw/zinc/25/06/41/407250641.db2.gz XBWXWJGLCZPSTH-UHFFFAOYSA-N 1 2 313.401 1.545 50 30 DDEALO CN(CCc1ccncc1)c1[nH+]cnc2c1cnn2CCC#N ZINC000097199864 407286242 /nfs/dbraw/zinc/28/62/42/407286242.db2.gz RQOSWMDKEFTNHA-UHFFFAOYSA-N 1 2 307.361 1.814 50 30 DDEALO CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000075092367 353346165 /nfs/dbraw/zinc/34/61/65/353346165.db2.gz CPZLPOHUVPEXDQ-UWVGGRQHSA-N 1 2 313.785 1.668 50 30 DDEALO N#Cc1cccnc1NC[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000065523355 184359252 /nfs/dbraw/zinc/35/92/52/184359252.db2.gz HKCUUVNHGYYUOA-GFCCVEGCSA-N 1 2 324.392 1.209 50 30 DDEALO N#Cc1cccnc1NC[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000065523355 184359253 /nfs/dbraw/zinc/35/92/53/184359253.db2.gz HKCUUVNHGYYUOA-GFCCVEGCSA-N 1 2 324.392 1.209 50 30 DDEALO CCc1nnc(C[N@@H+]2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065496610 184354841 /nfs/dbraw/zinc/35/48/41/184354841.db2.gz SBQXHKMMCQCQCZ-GFCCVEGCSA-N 1 2 312.377 1.833 50 30 DDEALO CCc1nnc(C[N@H+]2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065496610 184354842 /nfs/dbraw/zinc/35/48/42/184354842.db2.gz SBQXHKMMCQCQCZ-GFCCVEGCSA-N 1 2 312.377 1.833 50 30 DDEALO C=CCO[C@@H](C)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000071863737 406855599 /nfs/dbraw/zinc/85/55/99/406855599.db2.gz NBXVSJLBVIBLKK-DOTOQJQBSA-N 1 2 318.417 1.455 50 30 DDEALO N#Cc1c(NC(=O)C[NH+]2CCC(O)CC2)sc2c1CCCC2 ZINC000032664931 406951678 /nfs/dbraw/zinc/95/16/78/406951678.db2.gz GILPXIYJHFOYOX-UHFFFAOYSA-N 1 2 319.430 1.894 50 30 DDEALO C=CCNC(=O)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000048149628 407090020 /nfs/dbraw/zinc/09/00/20/407090020.db2.gz SCLRUADUPSYBNB-UHFFFAOYSA-N 1 2 313.361 1.621 50 30 DDEALO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@]([NH3+])(C(=O)[O-])C2)o1 ZINC000067909802 407289848 /nfs/dbraw/zinc/28/98/48/407289848.db2.gz UJDZFCJHOVXVIJ-KRWDZBQOSA-N 1 2 311.341 1.806 50 30 DDEALO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@]([NH3+])(C(=O)[O-])C2)o1 ZINC000067909802 407289849 /nfs/dbraw/zinc/28/98/49/407289849.db2.gz UJDZFCJHOVXVIJ-KRWDZBQOSA-N 1 2 311.341 1.806 50 30 DDEALO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408524258 418808620 /nfs/dbraw/zinc/80/86/20/418808620.db2.gz RMRZRRUBNHAINQ-NSHDSACASA-N 1 2 311.363 1.650 50 30 DDEALO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000585125659 422310266 /nfs/dbraw/zinc/31/02/66/422310266.db2.gz AQNJTYQOCJMNCA-INIZCTEOSA-N 1 2 323.400 1.572 50 30 DDEALO C[N@@H+](CC(N)=O)C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CCO1 ZINC000328586551 529824774 /nfs/dbraw/zinc/82/47/74/529824774.db2.gz DCAHWBDOOZMXTA-CQSZACIVSA-N 1 2 320.368 1.365 50 30 DDEALO C[N@H+](CC(N)=O)C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CCO1 ZINC000328586551 529824775 /nfs/dbraw/zinc/82/47/75/529824775.db2.gz DCAHWBDOOZMXTA-CQSZACIVSA-N 1 2 320.368 1.365 50 30 DDEALO CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000075092368 353346053 /nfs/dbraw/zinc/34/60/53/353346053.db2.gz CPZLPOHUVPEXDQ-ZJUUUORDSA-N 1 2 313.785 1.668 50 30 DDEALO Cc1nnc(CN(C)[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)n1C ZINC000089735945 353778553 /nfs/dbraw/zinc/77/85/53/353778553.db2.gz ZJYTYMZGTDMTEY-LSDHHAIUSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(CN(C)[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)n1C ZINC000089735945 353778557 /nfs/dbraw/zinc/77/85/57/353778557.db2.gz ZJYTYMZGTDMTEY-LSDHHAIUSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(C[N@H+](C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)n1C ZINC000089735945 353778562 /nfs/dbraw/zinc/77/85/62/353778562.db2.gz ZJYTYMZGTDMTEY-LSDHHAIUSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(C[N@@H+](C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)n1C ZINC000089735945 353778565 /nfs/dbraw/zinc/77/85/65/353778565.db2.gz ZJYTYMZGTDMTEY-LSDHHAIUSA-N 1 2 315.425 1.073 50 30 DDEALO CC(=O)N(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@H+](CCC#N)C1 ZINC000089930381 353783898 /nfs/dbraw/zinc/78/38/98/353783898.db2.gz NBCYECTZKCXFRX-CQSZACIVSA-N 1 2 316.409 1.029 50 30 DDEALO CC(=O)N(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@@H+](CCC#N)C1 ZINC000089930381 353783899 /nfs/dbraw/zinc/78/38/99/353783899.db2.gz NBCYECTZKCXFRX-CQSZACIVSA-N 1 2 316.409 1.029 50 30 DDEALO C[C@H]1C[N@H+](Cc2ccccc2C#N)CCN1Cc1nccn1C ZINC000069598879 406742657 /nfs/dbraw/zinc/74/26/57/406742657.db2.gz SMIHVYWQLSDUNU-HNNXBMFYSA-N 1 2 309.417 1.998 50 30 DDEALO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CCN1Cc1nccn1C ZINC000069598879 406742665 /nfs/dbraw/zinc/74/26/65/406742665.db2.gz SMIHVYWQLSDUNU-HNNXBMFYSA-N 1 2 309.417 1.998 50 30 DDEALO C#CC[N@H+](Cc1ccco1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000071896994 406863935 /nfs/dbraw/zinc/86/39/35/406863935.db2.gz XULCYLOACYUMCW-LBPRGKRZSA-N 1 2 300.280 1.878 50 30 DDEALO C#CC[N@@H+](Cc1ccco1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000071896994 406863938 /nfs/dbraw/zinc/86/39/38/406863938.db2.gz XULCYLOACYUMCW-LBPRGKRZSA-N 1 2 300.280 1.878 50 30 DDEALO C=C(Br)C[N@H+](CCC(=O)OC)C[C@@H]1CCCO1 ZINC000071908408 406866910 /nfs/dbraw/zinc/86/69/10/406866910.db2.gz XVHLSXJYOHJNTF-NSHDSACASA-N 1 2 306.200 1.939 50 30 DDEALO C=C(Br)C[N@@H+](CCC(=O)OC)C[C@@H]1CCCO1 ZINC000071908408 406866911 /nfs/dbraw/zinc/86/69/11/406866911.db2.gz XVHLSXJYOHJNTF-NSHDSACASA-N 1 2 306.200 1.939 50 30 DDEALO C[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)C1 ZINC000096461227 407270093 /nfs/dbraw/zinc/27/00/93/407270093.db2.gz ULAIBIQWSLAEHC-NSHDSACASA-N 1 2 305.313 1.529 50 30 DDEALO C[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)C1 ZINC000096461227 407270094 /nfs/dbraw/zinc/27/00/94/407270094.db2.gz ULAIBIQWSLAEHC-NSHDSACASA-N 1 2 305.313 1.529 50 30 DDEALO Cn1cc[nH+]c1CCNC(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000222251870 407553231 /nfs/dbraw/zinc/55/32/31/407553231.db2.gz KOHQIVYFYPGDQW-UHFFFAOYSA-N 1 2 311.385 1.515 50 30 DDEALO C#CCCC1(CCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)N=N1 ZINC000952880241 775632720 /nfs/dbraw/zinc/63/27/20/775632720.db2.gz DKSMNIAIZNXXCG-HNNXBMFYSA-N 1 2 318.421 1.665 50 30 DDEALO CCCC[C@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000075106014 353347537 /nfs/dbraw/zinc/34/75/37/353347537.db2.gz GKNPJJYHJZVQBP-INIZCTEOSA-N 1 2 301.390 1.928 50 30 DDEALO CCCC[C@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000075106014 353347538 /nfs/dbraw/zinc/34/75/38/353347538.db2.gz GKNPJJYHJZVQBP-INIZCTEOSA-N 1 2 301.390 1.928 50 30 DDEALO N#Cc1ccsc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000078788906 353532321 /nfs/dbraw/zinc/53/23/21/353532321.db2.gz CSDZSMHMMYBFKM-CHWSQXEVSA-N 1 2 305.403 1.291 50 30 DDEALO O=C(NCC#CC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000075164871 191437155 /nfs/dbraw/zinc/43/71/55/191437155.db2.gz UXCLSWHBJZELKI-UHFFFAOYSA-N 1 2 315.398 1.362 50 30 DDEALO COCCOCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267478089 206097064 /nfs/dbraw/zinc/09/70/64/206097064.db2.gz FVXHXXBFUVQGBH-UHFFFAOYSA-N 1 2 303.406 1.339 50 30 DDEALO N#CCCCS(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000096421235 407262899 /nfs/dbraw/zinc/26/28/99/407262899.db2.gz BPXSBHGQYZGBIL-UHFFFAOYSA-N 1 2 318.402 1.870 50 30 DDEALO C=CCC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000096473667 407271090 /nfs/dbraw/zinc/27/10/90/407271090.db2.gz SXFBNYBYBDRPIQ-QGZVFWFLSA-N 1 2 313.401 1.530 50 30 DDEALO C=CCC[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000096473667 407271091 /nfs/dbraw/zinc/27/10/91/407271091.db2.gz SXFBNYBYBDRPIQ-QGZVFWFLSA-N 1 2 313.401 1.530 50 30 DDEALO Cc1nn(C)c(=O)n1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000581813966 761722720 /nfs/dbraw/zinc/72/27/20/761722720.db2.gz AIPDTYJRIXORQM-UHFFFAOYSA-N 1 2 311.389 1.599 50 30 DDEALO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CCCNC1=O ZINC000328870240 539299387 /nfs/dbraw/zinc/29/93/87/539299387.db2.gz HVJBSHLCEKUWME-QMMMGPOBSA-N 1 2 319.287 1.568 50 30 DDEALO N#Cc1c2c(sc1NC(=O)N1CC[NH+](CCO)CC1)CCC2 ZINC000020573078 182234336 /nfs/dbraw/zinc/23/43/36/182234336.db2.gz YCTNRWKPYFNCML-UHFFFAOYSA-N 1 2 320.418 1.250 50 30 DDEALO N#Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1Cl ZINC000040528018 183093360 /nfs/dbraw/zinc/09/33/60/183093360.db2.gz RTBBPEORGYYLLS-UHFFFAOYSA-N 1 2 310.766 1.387 50 30 DDEALO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1 ZINC000029444258 406923370 /nfs/dbraw/zinc/92/33/70/406923370.db2.gz GIDNUTMHRPDNAQ-UHFFFAOYSA-N 1 2 313.405 1.088 50 30 DDEALO CN(C)c1ccc(CNC(=O)COc2cccc(C#N)c2)c[nH+]1 ZINC000052619501 407154103 /nfs/dbraw/zinc/15/41/03/407154103.db2.gz SAALRDFABYJYKR-UHFFFAOYSA-N 1 2 310.357 1.714 50 30 DDEALO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H](O)c1ccccc1 ZINC000097199718 407286839 /nfs/dbraw/zinc/28/68/39/407286839.db2.gz DQHMPPSCHYWELG-CQSZACIVSA-N 1 2 308.345 1.885 50 30 DDEALO CCCNC(=O)C[NH+]1CCC(Nc2snc(C)c2C#N)CC1 ZINC000283681593 409195574 /nfs/dbraw/zinc/19/55/74/409195574.db2.gz XSOILPBOWTYLCG-UHFFFAOYSA-N 1 2 321.450 1.726 50 30 DDEALO CN(C)[C@H](C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1c[nH+]cn1C ZINC000328590043 418606145 /nfs/dbraw/zinc/60/61/45/418606145.db2.gz HZNSDOOFJUWXBH-SPWCGHHHSA-N 1 2 318.421 1.937 50 30 DDEALO C#CC[NH+]1CCN(C(=O)CCCc2ccc(OC)c(F)c2)CC1 ZINC000083953140 483987529 /nfs/dbraw/zinc/98/75/29/483987529.db2.gz OHUCISORFPUNSM-UHFFFAOYSA-N 1 2 318.392 1.934 50 30 DDEALO CC(C)Cn1cc[nH+]c1CNC(=O)NC1CCN(CC#N)CC1 ZINC000095404602 519521508 /nfs/dbraw/zinc/52/15/08/519521508.db2.gz NMRKBJPUPVZBBJ-UHFFFAOYSA-N 1 2 318.425 1.326 50 30 DDEALO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)CCCCC1 ZINC000032809734 526433710 /nfs/dbraw/zinc/43/37/10/526433710.db2.gz LBGHQMSNSRQPRS-CQSZACIVSA-N 1 2 318.421 1.072 50 30 DDEALO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CCCCC1 ZINC000032809734 526433715 /nfs/dbraw/zinc/43/37/15/526433715.db2.gz LBGHQMSNSRQPRS-CQSZACIVSA-N 1 2 318.421 1.072 50 30 DDEALO COc1cc(C[NH+]2CCN(CC#N)CC2)cc2c1OCCO2 ZINC000092936200 185349998 /nfs/dbraw/zinc/34/99/98/185349998.db2.gz JDBJWESXQVISLU-UHFFFAOYSA-N 1 2 303.362 1.108 50 30 DDEALO CC[C@H](OC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000071839238 406850585 /nfs/dbraw/zinc/85/05/85/406850585.db2.gz JMNAMOGNYSVIQG-INIZCTEOSA-N 1 2 301.390 1.627 50 30 DDEALO N#Cc1ccc(N2CCC(C(=O)NCCn3cc[nH+]c3)CC2)nc1 ZINC000041816535 407009901 /nfs/dbraw/zinc/00/99/01/407009901.db2.gz ZNAFRKRZUNSFLK-UHFFFAOYSA-N 1 2 324.388 1.183 50 30 DDEALO C=CCn1cc(C[N@H+]2CCOC[C@@H]2CC(=O)OCC)c(C)n1 ZINC000055036461 407192738 /nfs/dbraw/zinc/19/27/38/407192738.db2.gz WHTSYIRSPGJIQE-HNNXBMFYSA-N 1 2 307.394 1.532 50 30 DDEALO C=CCn1cc(C[N@@H+]2CCOC[C@@H]2CC(=O)OCC)c(C)n1 ZINC000055036461 407192740 /nfs/dbraw/zinc/19/27/40/407192740.db2.gz WHTSYIRSPGJIQE-HNNXBMFYSA-N 1 2 307.394 1.532 50 30 DDEALO CC[C@H](C#N)S(=O)(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000095975092 407219411 /nfs/dbraw/zinc/21/94/11/407219411.db2.gz DPXTWSKJFZIVLW-MRXNPFEDSA-N 1 2 321.446 1.745 50 30 DDEALO N#CCCn1ncc2c1nc[nH+]c2NCc1ccccc1CO ZINC000097200142 407286832 /nfs/dbraw/zinc/28/68/32/407286832.db2.gz NGFWFDHSGFMUKU-UHFFFAOYSA-N 1 2 308.345 1.844 50 30 DDEALO CCOC(=O)C[N@@H+]1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000253433197 407452005 /nfs/dbraw/zinc/45/20/05/407452005.db2.gz TVMGGJBVVRQJNX-UHFFFAOYSA-N 1 2 305.353 1.773 50 30 DDEALO CCOC(=O)C[N@H+]1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000253433197 407452013 /nfs/dbraw/zinc/45/20/13/407452013.db2.gz TVMGGJBVVRQJNX-UHFFFAOYSA-N 1 2 305.353 1.773 50 30 DDEALO COc1ccccc1OCC(=O)ONC(=[NH2+])c1cccnc1 ZINC000008553195 524666779 /nfs/dbraw/zinc/66/67/79/524666779.db2.gz FLLIJZSJGDYJIK-UHFFFAOYSA-N 1 2 301.302 1.333 50 30 DDEALO Cc1nc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c(C)o1 ZINC000330458079 534868324 /nfs/dbraw/zinc/86/83/24/534868324.db2.gz HTCRZQOUSCLYML-UHFFFAOYSA-N 1 2 307.354 1.976 50 30 DDEALO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1Cl ZINC000092005571 193140272 /nfs/dbraw/zinc/14/02/72/193140272.db2.gz VEPUVPFLEZLZPP-IAQYHMDHSA-N 1 2 324.808 1.979 50 30 DDEALO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1Cl ZINC000092005571 193140273 /nfs/dbraw/zinc/14/02/73/193140273.db2.gz VEPUVPFLEZLZPP-IAQYHMDHSA-N 1 2 324.808 1.979 50 30 DDEALO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000040465943 183072863 /nfs/dbraw/zinc/07/28/63/183072863.db2.gz URBXXAKHKPEOQJ-UHFFFAOYSA-N 1 2 318.421 1.301 50 30 DDEALO N#Cc1nccnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000110682229 194348985 /nfs/dbraw/zinc/34/89/85/194348985.db2.gz OQPAMLSYGFXFAJ-SJORKVTESA-N 1 2 321.384 1.438 50 30 DDEALO N#Cc1nccnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000110682229 194348987 /nfs/dbraw/zinc/34/89/87/194348987.db2.gz OQPAMLSYGFXFAJ-SJORKVTESA-N 1 2 321.384 1.438 50 30 DDEALO CCOCCN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000069627367 406745825 /nfs/dbraw/zinc/74/58/25/406745825.db2.gz AGELGXRZDAUQCE-UHFFFAOYSA-N 1 2 303.406 1.591 50 30 DDEALO CCNC(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000071892857 406862483 /nfs/dbraw/zinc/86/24/83/406862483.db2.gz SAWVDYMGHMTKFH-UHFFFAOYSA-N 1 2 302.378 1.284 50 30 DDEALO O=C(NCC#CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000075164845 406925567 /nfs/dbraw/zinc/92/55/67/406925567.db2.gz ITCJXZDLXBFGBL-UHFFFAOYSA-N 1 2 308.381 1.905 50 30 DDEALO CCCCS(=O)(=O)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000075165087 406925775 /nfs/dbraw/zinc/92/57/75/406925775.db2.gz SWNVPYHHABQAPM-UHFFFAOYSA-N 1 2 320.458 1.768 50 30 DDEALO CCCCS(=O)(=O)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000075165087 406925777 /nfs/dbraw/zinc/92/57/77/406925777.db2.gz SWNVPYHHABQAPM-UHFFFAOYSA-N 1 2 320.458 1.768 50 30 DDEALO C[C@@H](Cn1cccn1)[NH+]=C([O-])N1CC[NH+](Cc2ccco2)CC1 ZINC000044969757 407036075 /nfs/dbraw/zinc/03/60/75/407036075.db2.gz BTHBFQIGIPMPQP-AWEZNQCLSA-N 1 2 317.393 1.596 50 30 DDEALO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000053432590 407169360 /nfs/dbraw/zinc/16/93/60/407169360.db2.gz ZBZRQTXYQRJNBM-UHFFFAOYSA-N 1 2 314.433 1.544 50 30 DDEALO N#Cc1cccc(OC2CC[NH+](Cc3nccc(N)n3)CC2)c1 ZINC000135045295 196440466 /nfs/dbraw/zinc/44/04/66/196440466.db2.gz FDETXQSYEIQTPG-UHFFFAOYSA-N 1 2 309.373 1.974 50 30 DDEALO C#CCCC1(CCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)N=N1 ZINC000952881428 775636951 /nfs/dbraw/zinc/63/69/51/775636951.db2.gz LUAADYNQWSLLSV-CQSZACIVSA-N 1 2 305.426 1.094 50 30 DDEALO NC(=[NH+]O[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1 ZINC000075092281 353346328 /nfs/dbraw/zinc/34/63/28/353346328.db2.gz MNCXXXKVRSVIGT-AWEZNQCLSA-N 1 2 321.352 1.243 50 30 DDEALO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000023800751 182368766 /nfs/dbraw/zinc/36/87/66/182368766.db2.gz IXTRRWFXKIDDGN-UHFFFAOYSA-N 1 2 306.369 1.911 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000069453224 406715058 /nfs/dbraw/zinc/71/50/58/406715058.db2.gz HENXLCBYMPTMLK-HNNXBMFYSA-N 1 2 300.410 1.464 50 30 DDEALO CCSc1ccccc1C(=O)NCC#CC[NH+]1CCOCC1 ZINC000075164863 406926408 /nfs/dbraw/zinc/92/64/08/406926408.db2.gz UDPXDPKPJXPEBK-UHFFFAOYSA-N 1 2 318.442 1.864 50 30 DDEALO N#Cc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)nc1 ZINC000040488120 407003388 /nfs/dbraw/zinc/00/33/88/407003388.db2.gz GJATVIZXMAWKRF-QGZVFWFLSA-N 1 2 321.384 1.302 50 30 DDEALO C=C(Cl)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000097325221 407291582 /nfs/dbraw/zinc/29/15/82/407291582.db2.gz YADCRUJTWCUVES-UHFFFAOYSA-N 1 2 315.826 1.209 50 30 DDEALO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000185206549 408780141 /nfs/dbraw/zinc/78/01/41/408780141.db2.gz WDSMVNXDHIJLSE-HNNXBMFYSA-N 1 2 317.437 1.317 50 30 DDEALO C#CCOc1ccc(CCNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000065589069 518323324 /nfs/dbraw/zinc/32/33/24/518323324.db2.gz RLFRVVLEMCWNAH-UHFFFAOYSA-N 1 2 312.373 1.437 50 30 DDEALO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cn1 ZINC000245862842 354354909 /nfs/dbraw/zinc/35/49/09/354354909.db2.gz RVHRUWMDKYUPRT-GOEBONIOSA-N 1 2 301.394 1.365 50 30 DDEALO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cn1 ZINC000245862842 354354911 /nfs/dbraw/zinc/35/49/11/354354911.db2.gz RVHRUWMDKYUPRT-GOEBONIOSA-N 1 2 301.394 1.365 50 30 DDEALO Cc1cc(C(=O)ONC(=[NH2+])c2ccncc2)ccc1[N+](=O)[O-] ZINC000018250250 182100622 /nfs/dbraw/zinc/10/06/22/182100622.db2.gz IWQBFACHNUUVAN-UHFFFAOYSA-N 1 2 300.274 1.776 50 30 DDEALO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cncn1 ZINC000027578593 406911485 /nfs/dbraw/zinc/91/14/85/406911485.db2.gz YWOGDIHRDAEBTL-AWEZNQCLSA-N 1 2 324.388 1.055 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(C[C@H](C#N)CCC#N)C[C@H]1C ZINC000106666200 407360597 /nfs/dbraw/zinc/36/05/97/407360597.db2.gz OWBXNFUCPYRACH-CVEARBPZSA-N 1 2 314.437 1.853 50 30 DDEALO N#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000115379335 407673064 /nfs/dbraw/zinc/67/30/64/407673064.db2.gz BUCULGRSAIPCLG-MRXNPFEDSA-N 1 2 314.389 1.280 50 30 DDEALO Cc1ccncc1NS(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000071414808 302290591 /nfs/dbraw/zinc/29/05/91/302290591.db2.gz SIQGAOVXAKSIGO-UHFFFAOYSA-N 1 2 301.371 1.501 50 30 DDEALO N#Cc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1Cl ZINC000069383363 406702647 /nfs/dbraw/zinc/70/26/47/406702647.db2.gz MYPYLDKTEHPFSC-UHFFFAOYSA-N 1 2 308.769 1.665 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(c2ccc(C#N)cn2)C[C@@H]1C ZINC000069632744 406748425 /nfs/dbraw/zinc/74/84/25/406748425.db2.gz FIQUBTXQDDUOBV-AWEZNQCLSA-N 1 2 310.405 1.880 50 30 DDEALO O=C(NCC#CC[NH+]1CCOCC1)Nc1cccc(Cl)c1 ZINC000075164896 406925693 /nfs/dbraw/zinc/92/56/93/406925693.db2.gz HLAVOZDSMWUHEG-UHFFFAOYSA-N 1 2 307.781 1.797 50 30 DDEALO Cc1nnc(CN2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)[nH]1 ZINC000097034147 407275755 /nfs/dbraw/zinc/27/57/55/407275755.db2.gz DBGHSHNNHIJXQF-UHFFFAOYSA-N 1 2 314.368 1.442 50 30 DDEALO COc1ncccc1CNc1[nH+]cnc2c1cnn2CCC#N ZINC000097199852 407286277 /nfs/dbraw/zinc/28/62/77/407286277.db2.gz UFDCXDAXJSSVHT-UHFFFAOYSA-N 1 2 309.333 1.756 50 30 DDEALO CC(NCCC[NH+]1CCOCC1)=C1C(=O)c2ccccc2C1=O ZINC000100337834 407307625 /nfs/dbraw/zinc/30/76/25/407307625.db2.gz JCDNTJSOLLTSTA-UHFFFAOYSA-N 1 2 314.385 1.652 50 30 DDEALO CC(C)[C@H](C[NH+]1CCOCC1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000097014955 280238473 /nfs/dbraw/zinc/23/84/73/280238473.db2.gz YEAGONGEVTVHHI-ZDUSSCGKSA-N 1 2 319.365 1.630 50 30 DDEALO C=CC[N@@H+](CC(=O)NC(=O)NC)Cc1ccc(Cl)s1 ZINC000057335851 518755896 /nfs/dbraw/zinc/75/58/96/518755896.db2.gz LGQIXTKKEXUYRK-UHFFFAOYSA-N 1 2 301.799 1.845 50 30 DDEALO C=CC[N@H+](CC(=O)NC(=O)NC)Cc1ccc(Cl)s1 ZINC000057335851 518755899 /nfs/dbraw/zinc/75/58/99/518755899.db2.gz LGQIXTKKEXUYRK-UHFFFAOYSA-N 1 2 301.799 1.845 50 30 DDEALO CN(Cc1cccc(C#N)c1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000072276091 191097734 /nfs/dbraw/zinc/09/77/34/191097734.db2.gz NHTQHFPNZMNLEO-MRXNPFEDSA-N 1 2 323.400 1.946 50 30 DDEALO CN(Cc1cccc(C#N)c1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000072276091 191097737 /nfs/dbraw/zinc/09/77/37/191097737.db2.gz NHTQHFPNZMNLEO-MRXNPFEDSA-N 1 2 323.400 1.946 50 30 DDEALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000003420765 181017557 /nfs/dbraw/zinc/01/75/57/181017557.db2.gz FWDOKFSSHFMHEN-LBPRGKRZSA-N 1 2 321.402 1.833 50 30 DDEALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000003420765 181017560 /nfs/dbraw/zinc/01/75/60/181017560.db2.gz FWDOKFSSHFMHEN-LBPRGKRZSA-N 1 2 321.402 1.833 50 30 DDEALO CS[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042829437 183313081 /nfs/dbraw/zinc/31/30/81/183313081.db2.gz XBVSRXPEXCQGCX-CYBMUJFWSA-N 1 2 303.431 1.954 50 30 DDEALO N#Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)nc1 ZINC000065474839 184351316 /nfs/dbraw/zinc/35/13/16/184351316.db2.gz JPHGFKPYLMDKKG-ZDUSSCGKSA-N 1 2 324.392 1.209 50 30 DDEALO N#Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)nc1 ZINC000065474839 184351317 /nfs/dbraw/zinc/35/13/17/184351317.db2.gz JPHGFKPYLMDKKG-ZDUSSCGKSA-N 1 2 324.392 1.209 50 30 DDEALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C2 ZINC000065474253 184351352 /nfs/dbraw/zinc/35/13/52/184351352.db2.gz ZWWIUWCQPJGQKU-DZGCQCFKSA-N 1 2 324.384 1.962 50 30 DDEALO C=CCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000036383826 406979472 /nfs/dbraw/zinc/97/94/72/406979472.db2.gz PKNARYFJXQXRHL-UHFFFAOYSA-N 1 2 313.448 1.296 50 30 DDEALO C=C[C@@H](CO)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000253419541 277898023 /nfs/dbraw/zinc/89/80/23/277898023.db2.gz OQHUVQYYTANZEN-LSDHHAIUSA-N 1 2 306.431 1.440 50 30 DDEALO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CCCNC1=O ZINC000328870238 539299380 /nfs/dbraw/zinc/29/93/80/539299380.db2.gz HVJBSHLCEKUWME-MRVPVSSYSA-N 1 2 319.287 1.568 50 30 DDEALO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1C#N ZINC000081015898 353645232 /nfs/dbraw/zinc/64/52/32/353645232.db2.gz LNVMSWCBYOERPX-AWEZNQCLSA-N 1 2 309.797 1.341 50 30 DDEALO COc1ccc(O[C@@H](C)C(=O)ONC(=[NH2+])c2ccncc2)cc1 ZINC000005014169 406728300 /nfs/dbraw/zinc/72/83/00/406728300.db2.gz USLXHDXHCHNCAC-NSHDSACASA-N 1 2 315.329 1.721 50 30 DDEALO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C#N ZINC000027565620 406911478 /nfs/dbraw/zinc/91/14/78/406911478.db2.gz WMUWUARACJIMRX-AWEZNQCLSA-N 1 2 300.362 1.049 50 30 DDEALO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C#N ZINC000027565620 406911481 /nfs/dbraw/zinc/91/14/81/406911481.db2.gz WMUWUARACJIMRX-AWEZNQCLSA-N 1 2 300.362 1.049 50 30 DDEALO C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000031106860 406937268 /nfs/dbraw/zinc/93/72/68/406937268.db2.gz ZUSOMGAKISVTLR-ZDUSSCGKSA-N 1 2 302.378 1.251 50 30 DDEALO Cn1ncc2c1nc[nH+]c2NCCNc1cccc(F)c1C#N ZINC000052312705 407150404 /nfs/dbraw/zinc/15/04/04/407150404.db2.gz NSRZOKYNJASDCN-UHFFFAOYSA-N 1 2 311.324 1.898 50 30 DDEALO Cc1nnc(CN(C)[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)n1C ZINC000229922613 407675744 /nfs/dbraw/zinc/67/57/44/407675744.db2.gz ZJYTYMZGTDMTEY-HUUCEWRRSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(CN(C)[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1C ZINC000229922613 407675748 /nfs/dbraw/zinc/67/57/48/407675748.db2.gz ZJYTYMZGTDMTEY-HUUCEWRRSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(C[N@H+](C)[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)n1C ZINC000229922613 407675756 /nfs/dbraw/zinc/67/57/56/407675756.db2.gz ZJYTYMZGTDMTEY-HUUCEWRRSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(C[N@@H+](C)[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)n1C ZINC000229922613 407675758 /nfs/dbraw/zinc/67/57/58/407675758.db2.gz ZJYTYMZGTDMTEY-HUUCEWRRSA-N 1 2 315.425 1.073 50 30 DDEALO COc1ccc(C[NH+]2CCN(CC#N)CC2)c(Cl)c1OC ZINC000092936525 185350003 /nfs/dbraw/zinc/35/00/03/185350003.db2.gz QHMBSBYJQDABCL-UHFFFAOYSA-N 1 2 309.797 1.998 50 30 DDEALO C=CC[C@]1(CO)CCCN(c2[nH+]c3c(cc2C(N)=O)CCC3)C1 ZINC000091444562 193055692 /nfs/dbraw/zinc/05/56/92/193055692.db2.gz MUONHZOVOYULMK-SFHVURJKSA-N 1 2 315.417 1.824 50 30 DDEALO C=CC[C@@]1(CO)CCCN(c2cc(N3CCCC3)[nH+]c(N)n2)C1 ZINC000091546989 193071315 /nfs/dbraw/zinc/07/13/15/193071315.db2.gz IKLYFXHYJZNXOQ-QGZVFWFLSA-N 1 2 317.437 1.814 50 30 DDEALO C=CC[C@@]1(CO)CCCN(c2cc(N3CCCC3)nc(N)[nH+]2)C1 ZINC000091546989 193071317 /nfs/dbraw/zinc/07/13/17/193071317.db2.gz IKLYFXHYJZNXOQ-QGZVFWFLSA-N 1 2 317.437 1.814 50 30 DDEALO N#Cc1cc(C#N)c(N2CCN(c3cccc[nH+]3)CC2)nc1N ZINC000002561407 406690229 /nfs/dbraw/zinc/69/02/29/406690229.db2.gz HLNNKQLCUWHCKE-UHFFFAOYSA-N 1 2 305.345 1.129 50 30 DDEALO CN(CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C#N)cn1 ZINC000069917950 406792143 /nfs/dbraw/zinc/79/21/43/406792143.db2.gz CLLFNDBMMBSXEA-OAHLLOKOSA-N 1 2 324.388 1.450 50 30 DDEALO N#CCC[C@@H](C#N)C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000071825126 406847657 /nfs/dbraw/zinc/84/76/57/406847657.db2.gz UXAGSBHNNQSXMO-HNNXBMFYSA-N 1 2 311.389 1.673 50 30 DDEALO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000071825126 406847660 /nfs/dbraw/zinc/84/76/60/406847660.db2.gz UXAGSBHNNQSXMO-HNNXBMFYSA-N 1 2 311.389 1.673 50 30 DDEALO C#CCC[NH+]1CCN(C(=O)CCc2nc3cccc(C)c3[nH]2)CC1 ZINC000096455623 407268778 /nfs/dbraw/zinc/26/87/78/407268778.db2.gz ZVRNYCUBFYFEPU-UHFFFAOYSA-N 1 2 324.428 1.971 50 30 DDEALO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000067804654 407285689 /nfs/dbraw/zinc/28/56/89/407285689.db2.gz HWQGIFYBADWNRD-OAHLLOKOSA-N 1 2 323.400 1.842 50 30 DDEALO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000067804654 407285690 /nfs/dbraw/zinc/28/56/90/407285690.db2.gz HWQGIFYBADWNRD-OAHLLOKOSA-N 1 2 323.400 1.842 50 30 DDEALO N#CCCn1ncc2c1nc[nH+]c2N[C@@H](C(N)=O)c1ccccc1 ZINC000097200243 407286581 /nfs/dbraw/zinc/28/65/81/407286581.db2.gz GPPPAPZBFMDLRT-CYBMUJFWSA-N 1 2 321.344 1.378 50 30 DDEALO COC(CN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1)OC ZINC000225452520 407586910 /nfs/dbraw/zinc/58/69/10/407586910.db2.gz PDUHNYXIVIMXMV-AWEZNQCLSA-N 1 2 303.406 1.856 50 30 DDEALO COC(=O)CCN1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000154773369 337383347 /nfs/dbraw/zinc/38/33/47/337383347.db2.gz MLTMJSSWJYXTJG-GFCCVEGCSA-N 1 2 307.419 1.689 50 30 DDEALO COC(=O)CCN1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000154773369 337383348 /nfs/dbraw/zinc/38/33/48/337383348.db2.gz MLTMJSSWJYXTJG-GFCCVEGCSA-N 1 2 307.419 1.689 50 30 DDEALO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000097201347 295768880 /nfs/dbraw/zinc/76/88/80/295768880.db2.gz DYZNLZVRUQVJGH-ZDUSSCGKSA-N 1 2 301.394 1.430 50 30 DDEALO Cc1nc(C)n(C[C@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)n1 ZINC000072253436 191087113 /nfs/dbraw/zinc/08/71/13/191087113.db2.gz UJYPXRJHFMNTLW-QGZVFWFLSA-N 1 2 311.389 1.668 50 30 DDEALO Cc1nc(C)n(C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)n1 ZINC000072253436 191087120 /nfs/dbraw/zinc/08/71/20/191087120.db2.gz UJYPXRJHFMNTLW-QGZVFWFLSA-N 1 2 311.389 1.668 50 30 DDEALO Cn1cc[nH+]c1CN1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000069414954 406704508 /nfs/dbraw/zinc/70/45/08/406704508.db2.gz YGDRNLAPLDDLGT-UHFFFAOYSA-N 1 2 313.380 1.749 50 30 DDEALO [NH2+]=C(NOC(=O)COc1ccccc1Cl)c1cccnc1 ZINC000004264179 406722596 /nfs/dbraw/zinc/72/25/96/406722596.db2.gz MHXAUMGFLXVDMB-UHFFFAOYSA-N 1 2 305.721 1.978 50 30 DDEALO Cc1nnc([C@@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)[nH]1 ZINC000076048470 406951898 /nfs/dbraw/zinc/95/18/98/406951898.db2.gz SDAKPXYKFVNPTL-HNNXBMFYSA-N 1 2 313.361 1.437 50 30 DDEALO Cc1nnc([C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)[nH]1 ZINC000076048470 406951899 /nfs/dbraw/zinc/95/18/99/406951899.db2.gz SDAKPXYKFVNPTL-HNNXBMFYSA-N 1 2 313.361 1.437 50 30 DDEALO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000247633176 222230825 /nfs/dbraw/zinc/23/08/25/222230825.db2.gz CBVHISXMKCDCJY-AWEZNQCLSA-N 1 2 305.403 1.417 50 30 DDEALO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000247633176 222230828 /nfs/dbraw/zinc/23/08/28/222230828.db2.gz CBVHISXMKCDCJY-AWEZNQCLSA-N 1 2 305.403 1.417 50 30 DDEALO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C[C@H](C#N)CCC#N)C2)o1 ZINC000084258797 483994041 /nfs/dbraw/zinc/99/40/41/483994041.db2.gz QCMIAXFOTQXRTQ-GJZGRUSLSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(C[N@H+](C)[C@H]2CCN(C[C@H](C#N)CCC#N)C2)o1 ZINC000084258797 483994050 /nfs/dbraw/zinc/99/40/50/483994050.db2.gz QCMIAXFOTQXRTQ-GJZGRUSLSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(CN(C)[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)o1 ZINC000084258797 483994058 /nfs/dbraw/zinc/99/40/58/483994058.db2.gz QCMIAXFOTQXRTQ-GJZGRUSLSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(CN(C)[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)o1 ZINC000084258797 483994065 /nfs/dbraw/zinc/99/40/65/483994065.db2.gz QCMIAXFOTQXRTQ-GJZGRUSLSA-N 1 2 301.394 1.933 50 30 DDEALO COc1ccc(OCC(=[NH2+])NOC(=O)c2cc(C)on2)cc1 ZINC000008536223 524925587 /nfs/dbraw/zinc/92/55/87/524925587.db2.gz IFMAJDBJBWNJHF-UHFFFAOYSA-N 1 2 305.290 1.500 50 30 DDEALO Cc1nc(OCC[NH+]2CCOCC2)c(C#N)c2c1CCCC2 ZINC000020676327 182243197 /nfs/dbraw/zinc/24/31/97/182243197.db2.gz DZAOEUSFAPNNIL-UHFFFAOYSA-N 1 2 301.390 1.852 50 30 DDEALO COCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027105415 406907780 /nfs/dbraw/zinc/90/77/80/406907780.db2.gz QLSCEVKBWORXEA-UHFFFAOYSA-N 1 2 302.334 1.575 50 30 DDEALO N#Cc1ncoc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000027562438 406911508 /nfs/dbraw/zinc/91/15/08/406911508.db2.gz BXDQYYULQFLXPF-UHFFFAOYSA-N 1 2 312.329 1.597 50 30 DDEALO COc1cccc(NC(=O)NCC#CC[NH+]2CCOCC2)c1 ZINC000075164902 406926238 /nfs/dbraw/zinc/92/62/38/406926238.db2.gz PIQRTYODPODCFA-UHFFFAOYSA-N 1 2 303.362 1.152 50 30 DDEALO CC(C)(C)OC(=O)NCC(=[NH2+])NOC(=O)c1ccc(C#N)cc1 ZINC000095921852 407215019 /nfs/dbraw/zinc/21/50/19/407215019.db2.gz IBYLJVXXONJFNO-UHFFFAOYSA-N 1 2 318.333 1.512 50 30 DDEALO C=C(Cl)C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCc2ccccc21 ZINC000065609437 407245136 /nfs/dbraw/zinc/24/51/36/407245136.db2.gz QYTHIQASIIHIOS-ZDUSSCGKSA-N 1 2 307.781 1.923 50 30 DDEALO C=C(Cl)C[N@H+](CC(=O)NC(N)=O)[C@H]1CCc2ccccc21 ZINC000065609437 407245137 /nfs/dbraw/zinc/24/51/37/407245137.db2.gz QYTHIQASIIHIOS-ZDUSSCGKSA-N 1 2 307.781 1.923 50 30 DDEALO N#Cc1ccc(N2CC[NH+](CCn3cncn3)CC2)c(Cl)c1 ZINC000277710788 408997261 /nfs/dbraw/zinc/99/72/61/408997261.db2.gz IMNHAVCXCQZEGE-UHFFFAOYSA-N 1 2 316.796 1.625 50 30 DDEALO C=CCCOCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000069878291 518701731 /nfs/dbraw/zinc/70/17/31/518701731.db2.gz AYXXAZFPAUGKDG-UHFFFAOYSA-N 1 2 306.410 1.047 50 30 DDEALO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069484855 353162957 /nfs/dbraw/zinc/16/29/57/353162957.db2.gz OOXNKOMWIBSABS-LBPRGKRZSA-N 1 2 316.390 1.314 50 30 DDEALO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000069484855 353162959 /nfs/dbraw/zinc/16/29/59/353162959.db2.gz OOXNKOMWIBSABS-LBPRGKRZSA-N 1 2 316.390 1.314 50 30 DDEALO C#CC[NH+]1CCN(C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000097373580 353918955 /nfs/dbraw/zinc/91/89/55/353918955.db2.gz UFECWUVEZNSOIT-HNNXBMFYSA-N 1 2 322.836 1.639 50 30 DDEALO COCCN(C)c1ccc(/C=C/C(=O)c2ccn(C)n2)c[nH+]1 ZINC000585136211 354811865 /nfs/dbraw/zinc/81/18/65/354811865.db2.gz WGIWMDNELFUXHF-GQCTYLIASA-N 1 2 300.362 1.794 50 30 DDEALO CC[N@H+](CC(=O)N(C)CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000040087785 183032963 /nfs/dbraw/zinc/03/29/63/183032963.db2.gz QBCVJLHCALAMNG-UHFFFAOYSA-N 1 2 304.350 1.789 50 30 DDEALO CC[N@@H+](CC(=O)N(C)CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000040087785 183032964 /nfs/dbraw/zinc/03/29/64/183032964.db2.gz QBCVJLHCALAMNG-UHFFFAOYSA-N 1 2 304.350 1.789 50 30 DDEALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C2 ZINC000065474251 184351555 /nfs/dbraw/zinc/35/15/55/184351555.db2.gz ZWWIUWCQPJGQKU-UKRRQHHQSA-N 1 2 324.384 1.962 50 30 DDEALO [NH2+]=C(NOC(=O)COc1ccc(Cl)cc1)c1cccnc1 ZINC000004170183 406722767 /nfs/dbraw/zinc/72/27/67/406722767.db2.gz PVXHITPRISSVQK-UHFFFAOYSA-N 1 2 305.721 1.978 50 30 DDEALO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000071921286 406868034 /nfs/dbraw/zinc/86/80/34/406868034.db2.gz VVMFPSONPYIBJY-HNNXBMFYSA-N 1 2 315.373 1.571 50 30 DDEALO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000071921286 406868038 /nfs/dbraw/zinc/86/80/38/406868038.db2.gz VVMFPSONPYIBJY-HNNXBMFYSA-N 1 2 315.373 1.571 50 30 DDEALO C=CCNC(=O)NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000072286226 406878420 /nfs/dbraw/zinc/87/84/20/406878420.db2.gz XNZOFUYPPJFLOA-CQSZACIVSA-N 1 2 319.430 1.788 50 30 DDEALO C=CCNC(=O)NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000072286226 406878422 /nfs/dbraw/zinc/87/84/22/406878422.db2.gz XNZOFUYPPJFLOA-CQSZACIVSA-N 1 2 319.430 1.788 50 30 DDEALO C#CC[NH+]1CCN(CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000089945386 407162139 /nfs/dbraw/zinc/16/21/39/407162139.db2.gz CYGUUICWYZUTHS-UHFFFAOYSA-N 1 2 305.447 1.863 50 30 DDEALO C#CC[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000055121421 407195648 /nfs/dbraw/zinc/19/56/48/407195648.db2.gz NWYXECAGVYJMQF-UHFFFAOYSA-N 1 2 312.373 1.496 50 30 DDEALO NC(CCO)=[NH+]OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000095945048 407215845 /nfs/dbraw/zinc/21/58/45/407215845.db2.gz YBSGCTIKRPOSRM-UHFFFAOYSA-N 1 2 305.256 1.315 50 30 DDEALO CS(=O)(=O)c1cccc(OCC[NH+]2CCC(C#N)CC2)c1 ZINC000096414841 407262065 /nfs/dbraw/zinc/26/20/65/407262065.db2.gz VDSLPMPMXMWOOQ-UHFFFAOYSA-N 1 2 308.403 1.704 50 30 DDEALO N#CCCn1ncc2c1nc[nH+]c2NCc1cn2ccccc2n1 ZINC000097200065 407286492 /nfs/dbraw/zinc/28/64/92/407286492.db2.gz QKDNYCQHPVXIFL-UHFFFAOYSA-N 1 2 318.344 2.000 50 30 DDEALO CCOC1CC(CNc2ncccc2C#N)([NH+]2CCOCC2)C1 ZINC000278112605 409067525 /nfs/dbraw/zinc/06/75/25/409067525.db2.gz XLIRJGALCPFRGQ-UHFFFAOYSA-N 1 2 316.405 1.635 50 30 DDEALO C=CC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000087107037 337377239 /nfs/dbraw/zinc/37/72/39/337377239.db2.gz FBQXNKDZXWZRHQ-HUUCEWRRSA-N 1 2 322.453 1.289 50 30 DDEALO COc1cc(/C=[NH+]/C2C3(C)CN4CN(C3)CC2(C)C4)ccc1O ZINC000032106712 521985192 /nfs/dbraw/zinc/98/51/92/521985192.db2.gz VABOBPXOTDYAFJ-FBCYGCLPSA-N 1 2 315.417 1.803 50 30 DDEALO CN(C)c1ccc(Nc2ncnc3c2cnn3CCC#N)c[nH+]1 ZINC000065520306 522238583 /nfs/dbraw/zinc/23/85/83/522238583.db2.gz LPBWARDBFKGGTG-UHFFFAOYSA-N 1 2 308.349 1.945 50 30 DDEALO N#Cc1cccc(CS(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000329304882 539302898 /nfs/dbraw/zinc/30/28/98/539302898.db2.gz YBCSEJRPIWWDLK-UHFFFAOYSA-N 1 2 319.430 1.558 50 30 DDEALO CC(=O)O/[NH+]=C/c1c2ccccc2n(C)c1N1CCOCC1 ZINC000004052056 181067221 /nfs/dbraw/zinc/06/72/21/181067221.db2.gz JQVVLSIVCWKNTL-GZTJUZNOSA-N 1 2 301.346 1.912 50 30 DDEALO CC(C)[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081512503 192276989 /nfs/dbraw/zinc/27/69/89/192276989.db2.gz LMPBEUOCGSFSIH-UHFFFAOYSA-N 1 2 321.446 1.358 50 30 DDEALO Cc1nc(C)c(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)o1 ZINC000330969818 223159223 /nfs/dbraw/zinc/15/92/23/223159223.db2.gz SXAQLFPXRNALJD-UHFFFAOYSA-N 1 2 307.354 1.976 50 30 DDEALO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCOCC1)CCC2 ZINC000022197692 182312515 /nfs/dbraw/zinc/31/25/15/182312515.db2.gz KTQINSVIQVOBRM-UHFFFAOYSA-N 1 2 305.403 1.769 50 30 DDEALO CS(=O)(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042684130 183296529 /nfs/dbraw/zinc/29/65/29/183296529.db2.gz JWDWPHCLUUPXEJ-UHFFFAOYSA-N 1 2 321.446 1.111 50 30 DDEALO CS(=O)(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042684130 183296530 /nfs/dbraw/zinc/29/65/30/183296530.db2.gz JWDWPHCLUUPXEJ-UHFFFAOYSA-N 1 2 321.446 1.111 50 30 DDEALO N#Cc1ccccc1N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000069348707 406697829 /nfs/dbraw/zinc/69/78/29/406697829.db2.gz JPYGKTRZNVXCEW-UHFFFAOYSA-N 1 2 312.417 1.739 50 30 DDEALO Cc1nc(C[N@H+]2CCC[C@H](N(C)c3ccc(C#N)cn3)C2)no1 ZINC000071859523 406854278 /nfs/dbraw/zinc/85/42/78/406854278.db2.gz PZXIOTWVDXTGBB-AWEZNQCLSA-N 1 2 312.377 1.746 50 30 DDEALO Cc1nc(C[N@@H+]2CCC[C@H](N(C)c3ccc(C#N)cn3)C2)no1 ZINC000071859523 406854280 /nfs/dbraw/zinc/85/42/80/406854280.db2.gz PZXIOTWVDXTGBB-AWEZNQCLSA-N 1 2 312.377 1.746 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797352 406844488 /nfs/dbraw/zinc/84/44/88/406844488.db2.gz JJJJSEPVYZWIJK-ZBFHGGJFSA-N 1 2 303.410 1.611 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797352 406844491 /nfs/dbraw/zinc/84/44/91/406844491.db2.gz JJJJSEPVYZWIJK-ZBFHGGJFSA-N 1 2 303.410 1.611 50 30 DDEALO Cc1nnc(N2CC[NH+](Cc3ccccn3)CC2)c(C#N)c1C ZINC000040497100 407002713 /nfs/dbraw/zinc/00/27/13/407002713.db2.gz ARNUNJFRULIHJJ-UHFFFAOYSA-N 1 2 308.389 1.682 50 30 DDEALO C[C@H](CNC(=O)Nc1ccc(F)cc1C#N)[NH+]1CCOCC1 ZINC000097473147 407298391 /nfs/dbraw/zinc/29/83/91/407298391.db2.gz HCSAYCJQLXJCPX-LLVKDONJSA-N 1 2 306.341 1.540 50 30 DDEALO O=C(NC1(CO)Cc2ccccc2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328600977 418605261 /nfs/dbraw/zinc/60/52/61/418605261.db2.gz DSAWRQDGVUTHAV-ZDUSSCGKSA-N 1 2 311.385 1.932 50 30 DDEALO CC1(C)CC(=O)C2=C(C1)NCN(CCC[NH+]1CCOCC1)C2 ZINC000020533163 280891324 /nfs/dbraw/zinc/89/13/24/280891324.db2.gz OROMQESHLCFQPN-UHFFFAOYSA-N 1 2 307.438 1.215 50 30 DDEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 ZINC000020311836 518863636 /nfs/dbraw/zinc/86/36/36/518863636.db2.gz XTBGCDPQRFYSFL-AWEZNQCLSA-N 1 2 304.390 1.793 50 30 DDEALO CCN(CC)c1ccc(C=[NH+]Nc2nnc(C)n2N)c(OC)c1 ZINC000023279567 520882231 /nfs/dbraw/zinc/88/22/31/520882231.db2.gz RGAVMRLFXDYPBR-LICLKQGHSA-N 1 2 317.397 1.601 50 30 DDEALO Cc1[nH+]c2ccccn2c1Cn1c(=O)c(C#N)cn(C2CC2)c1=O ZINC000095401580 185354686 /nfs/dbraw/zinc/35/46/86/185354686.db2.gz HVOGUNFVCMUBJI-UHFFFAOYSA-N 1 2 321.340 1.221 50 30 DDEALO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000024243337 182378190 /nfs/dbraw/zinc/37/81/90/182378190.db2.gz RUQAYZJOJICHFE-CQSZACIVSA-N 1 2 312.417 1.343 50 30 DDEALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000024243337 182378191 /nfs/dbraw/zinc/37/81/91/182378191.db2.gz RUQAYZJOJICHFE-CQSZACIVSA-N 1 2 312.417 1.343 50 30 DDEALO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000026174096 406903614 /nfs/dbraw/zinc/90/36/14/406903614.db2.gz MVHLOFMQWUBHPJ-OAHLLOKOSA-N 1 2 307.419 1.462 50 30 DDEALO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000026174096 406903618 /nfs/dbraw/zinc/90/36/18/406903618.db2.gz MVHLOFMQWUBHPJ-OAHLLOKOSA-N 1 2 307.419 1.462 50 30 DDEALO Cc1cccc(N2CC[NH+](CC(=O)N(C)C(C)(C)C#N)CC2)c1 ZINC000029640192 406926329 /nfs/dbraw/zinc/92/63/29/406926329.db2.gz BQLLGWZBNPXPCA-UHFFFAOYSA-N 1 2 314.433 1.878 50 30 DDEALO C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000076054579 406952743 /nfs/dbraw/zinc/95/27/43/406952743.db2.gz VEMSITWWHXAAHH-CABCVRRESA-N 1 2 305.422 1.640 50 30 DDEALO C[C@H](C#N)C[NH2+]Cc1c(CNC(=O)OC(C)(C)C)cnn1C ZINC000952995653 721535035 /nfs/dbraw/zinc/53/50/35/721535035.db2.gz TUZOYXMWKPDUAD-LLVKDONJSA-N 1 2 307.398 1.694 50 30 DDEALO Cc1cnn(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000055007448 407192931 /nfs/dbraw/zinc/19/29/31/407192931.db2.gz WRZJJXPZCOAKSZ-UHFFFAOYSA-N 1 2 323.400 1.408 50 30 DDEALO Cc1[nH+]c2n(c1C)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000097201501 407287023 /nfs/dbraw/zinc/28/70/23/407287023.db2.gz OKBSVJYSVGLVQO-INIZCTEOSA-N 1 2 303.410 1.370 50 30 DDEALO CC(C)(C(=O)NCCc1cnc(C2CC2)nc1)[NH+]1CCOCC1 ZINC000328697788 409956518 /nfs/dbraw/zinc/95/65/18/409956518.db2.gz USXDFHQQWSWKBM-UHFFFAOYSA-N 1 2 318.421 1.964 50 30 DDEALO NC(=[NH+]OCC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000075106476 353347621 /nfs/dbraw/zinc/34/76/21/353347621.db2.gz ITODFAQRACKRLN-LLVKDONJSA-N 1 2 311.769 1.282 50 30 DDEALO N#CC1(NC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)CCCCC1 ZINC000058218595 184090067 /nfs/dbraw/zinc/09/00/67/184090067.db2.gz SNPJJCVXIRRDAD-UHFFFAOYSA-N 1 2 315.421 1.932 50 30 DDEALO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C#N ZINC000027565621 406911747 /nfs/dbraw/zinc/91/17/47/406911747.db2.gz WMUWUARACJIMRX-CQSZACIVSA-N 1 2 300.362 1.049 50 30 DDEALO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C#N ZINC000027565621 406911749 /nfs/dbraw/zinc/91/17/49/406911749.db2.gz WMUWUARACJIMRX-CQSZACIVSA-N 1 2 300.362 1.049 50 30 DDEALO C=CCOc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1OC ZINC000078567323 407034395 /nfs/dbraw/zinc/03/43/95/407034395.db2.gz NVDUMABFOHIDKC-UHFFFAOYSA-N 1 2 320.389 1.010 50 30 DDEALO Cc1csc(N2CC[N@@H+](CC(=O)N(C)CCC#N)C[C@H]2C)n1 ZINC000106775738 407361055 /nfs/dbraw/zinc/36/10/55/407361055.db2.gz DYRMJGQQXNIKJC-CYBMUJFWSA-N 1 2 321.450 1.334 50 30 DDEALO Cc1csc(N2CC[N@H+](CC(=O)N(C)CCC#N)C[C@H]2C)n1 ZINC000106775738 407361058 /nfs/dbraw/zinc/36/10/58/407361058.db2.gz DYRMJGQQXNIKJC-CYBMUJFWSA-N 1 2 321.450 1.334 50 30 DDEALO O=C(NC1(CO)Cc2ccccc2C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328602915 409932391 /nfs/dbraw/zinc/93/23/91/409932391.db2.gz HITUTXXCFVONGB-ZDUSSCGKSA-N 1 2 311.385 1.932 50 30 DDEALO C#CCCC1(CCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)N=N1 ZINC000952881170 775635880 /nfs/dbraw/zinc/63/58/80/775635880.db2.gz LGWFHDAGYLHBGA-CABCVRRESA-N 1 2 318.421 1.664 50 30 DDEALO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000058378038 184110270 /nfs/dbraw/zinc/11/02/70/184110270.db2.gz IIUOKKKWOMDDNT-UHFFFAOYSA-N 1 2 308.385 1.653 50 30 DDEALO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000065408918 184339504 /nfs/dbraw/zinc/33/95/04/184339504.db2.gz OEEHXOQEVLDBGP-SNVBAGLBSA-N 1 2 324.793 1.775 50 30 DDEALO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014923910 406877546 /nfs/dbraw/zinc/87/75/46/406877546.db2.gz FDLGTULKNYVFEL-ZDUSSCGKSA-N 1 2 318.377 1.408 50 30 DDEALO C=CC[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560109 407253796 /nfs/dbraw/zinc/25/37/96/407253796.db2.gz ZFFRVBZRNZYISU-HNNXBMFYSA-N 1 2 320.414 1.612 50 30 DDEALO C=CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560109 407253798 /nfs/dbraw/zinc/25/37/98/407253798.db2.gz ZFFRVBZRNZYISU-HNNXBMFYSA-N 1 2 320.414 1.612 50 30 DDEALO Cn1ncc2c1CCC[C@@H]2Nc1[nH+]cnc2c1cnn2CCC#N ZINC000097200276 407286697 /nfs/dbraw/zinc/28/66/97/407286697.db2.gz QBLOXHFGKVOSOT-ZDUSSCGKSA-N 1 2 322.376 1.963 50 30 DDEALO C=CCn1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(C)n1 ZINC000055211108 519277033 /nfs/dbraw/zinc/27/70/33/519277033.db2.gz PHUYUPRPAKGCPS-UHFFFAOYSA-N 1 2 322.416 1.966 50 30 DDEALO CC(=O)N(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@H+](CCC#N)C1 ZINC000089930382 353783331 /nfs/dbraw/zinc/78/33/31/353783331.db2.gz NBCYECTZKCXFRX-AWEZNQCLSA-N 1 2 316.409 1.029 50 30 DDEALO CC(=O)N(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+](CCC#N)C1 ZINC000089930382 353783333 /nfs/dbraw/zinc/78/33/33/353783333.db2.gz NBCYECTZKCXFRX-AWEZNQCLSA-N 1 2 316.409 1.029 50 30 DDEALO C#CCn1cc(C[N@@H+](C)[C@@H]2CCc3ccccc3NC2=O)cn1 ZINC000225399189 354317809 /nfs/dbraw/zinc/31/78/09/354317809.db2.gz SXJARAJMQFWHHU-QGZVFWFLSA-N 1 2 308.385 1.902 50 30 DDEALO C#CCn1cc(C[N@H+](C)[C@@H]2CCc3ccccc3NC2=O)cn1 ZINC000225399189 354317813 /nfs/dbraw/zinc/31/78/13/354317813.db2.gz SXJARAJMQFWHHU-QGZVFWFLSA-N 1 2 308.385 1.902 50 30 DDEALO CC(C)(C#N)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000042106218 183233002 /nfs/dbraw/zinc/23/30/02/183233002.db2.gz INAJOTPEBBUHAO-UHFFFAOYSA-N 1 2 301.390 1.759 50 30 DDEALO CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000065532115 184361843 /nfs/dbraw/zinc/36/18/43/184361843.db2.gz AUHNDGDXYJRGEI-CYBMUJFWSA-N 1 2 313.357 1.686 50 30 DDEALO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)o1 ZINC000071897202 406863583 /nfs/dbraw/zinc/86/35/83/406863583.db2.gz NFFRBGOPOWGZHY-CQSZACIVSA-N 1 2 305.378 1.732 50 30 DDEALO CCOC(=O)C[N@@H+]1CCCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000071792435 406841847 /nfs/dbraw/zinc/84/18/47/406841847.db2.gz IYDPLOKJIKZSRZ-UHFFFAOYSA-N 1 2 317.393 1.040 50 30 DDEALO CCOC(=O)C[N@H+]1CCCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000071792435 406841852 /nfs/dbraw/zinc/84/18/52/406841852.db2.gz IYDPLOKJIKZSRZ-UHFFFAOYSA-N 1 2 317.393 1.040 50 30 DDEALO C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000076054589 406952559 /nfs/dbraw/zinc/95/25/59/406952559.db2.gz VEMSITWWHXAAHH-HUUCEWRRSA-N 1 2 305.422 1.640 50 30 DDEALO CCc1nnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000054116885 407178170 /nfs/dbraw/zinc/17/81/70/407178170.db2.gz QCFKTGSQPRVQIO-UHFFFAOYSA-N 1 2 311.389 1.821 50 30 DDEALO N#Cc1nccnc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000096469752 407269663 /nfs/dbraw/zinc/26/96/63/407269663.db2.gz OQPAMLSYGFXFAJ-DLBZAZTESA-N 1 2 321.384 1.438 50 30 DDEALO N#Cc1nccnc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000096469752 407269665 /nfs/dbraw/zinc/26/96/65/407269665.db2.gz OQPAMLSYGFXFAJ-DLBZAZTESA-N 1 2 321.384 1.438 50 30 DDEALO CNc1cc(N2CCC[C@H]2CNc2cc(C#N)ccn2)nc[nH+]1 ZINC000283707769 409200418 /nfs/dbraw/zinc/20/04/18/409200418.db2.gz DLCBGLLPOMXZRC-ZDUSSCGKSA-N 1 2 309.377 1.866 50 30 DDEALO CNc1cc(N2CCC[C@H]2CNc2cc(C#N)ccn2)[nH+]cn1 ZINC000283707769 409200420 /nfs/dbraw/zinc/20/04/20/409200420.db2.gz DLCBGLLPOMXZRC-ZDUSSCGKSA-N 1 2 309.377 1.866 50 30 DDEALO C=CCn1ncc(C[NH+]2CCN(Cc3nccn3C)CC2)c1C ZINC000820505214 758106877 /nfs/dbraw/zinc/10/68/77/758106877.db2.gz BLEXZZJQWNYCLX-UHFFFAOYSA-N 1 2 314.437 1.429 50 30 DDEALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CN(C)c1ccc(C#N)cn1)C2 ZINC000072279185 191099739 /nfs/dbraw/zinc/09/97/39/191099739.db2.gz LNBKTGNTZLRQKW-AWEZNQCLSA-N 1 2 324.388 1.026 50 30 DDEALO N#Cc1nccnc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000253392871 186303505 /nfs/dbraw/zinc/30/35/05/186303505.db2.gz HRLRKFJLGFKPDI-UHFFFAOYSA-N 1 2 319.372 1.318 50 30 DDEALO CCc1nnc(C[N@@H+]2CC[C@@H](CNc3ncccc3C#N)C2)o1 ZINC000065496616 184354629 /nfs/dbraw/zinc/35/46/29/184354629.db2.gz SBQXHKMMCQCQCZ-LBPRGKRZSA-N 1 2 312.377 1.833 50 30 DDEALO CCc1nnc(C[N@H+]2CC[C@@H](CNc3ncccc3C#N)C2)o1 ZINC000065496616 184354631 /nfs/dbraw/zinc/35/46/31/184354631.db2.gz SBQXHKMMCQCQCZ-LBPRGKRZSA-N 1 2 312.377 1.833 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057292119 407214153 /nfs/dbraw/zinc/21/41/53/407214153.db2.gz LUHREZXHFCLNCE-SFHVURJKSA-N 1 2 314.433 1.863 50 30 DDEALO C#CCNC(=O)c1ccc(NCCc2[nH+]ccn2C(F)F)nc1 ZINC000095958818 407216683 /nfs/dbraw/zinc/21/66/83/407216683.db2.gz HYWHBKBZVUVTIM-UHFFFAOYSA-N 1 2 319.315 1.691 50 30 DDEALO CN(C)c1ncnc2c1C[N@H+](CCOc1ccccc1C#N)CC2 ZINC000097201923 407286882 /nfs/dbraw/zinc/28/68/82/407286882.db2.gz KWNAWWLJYSUDAY-UHFFFAOYSA-N 1 2 323.400 1.851 50 30 DDEALO CN(C)c1ncnc2c1C[N@@H+](CCOc1ccccc1C#N)CC2 ZINC000097201923 407286885 /nfs/dbraw/zinc/28/68/85/407286885.db2.gz KWNAWWLJYSUDAY-UHFFFAOYSA-N 1 2 323.400 1.851 50 30 DDEALO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000328592122 418605210 /nfs/dbraw/zinc/60/52/10/418605210.db2.gz FLTPZEWLFGSEQP-LLVKDONJSA-N 1 2 304.350 1.076 50 30 DDEALO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000328592122 418605212 /nfs/dbraw/zinc/60/52/12/418605212.db2.gz FLTPZEWLFGSEQP-LLVKDONJSA-N 1 2 304.350 1.076 50 30 DDEALO CC(C)[C@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400544 185354037 /nfs/dbraw/zinc/35/40/37/185354037.db2.gz IUPDDMZBPOMUAC-JKSUJKDBSA-N 1 2 301.390 1.552 50 30 DDEALO CC(C)[C@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400544 185354038 /nfs/dbraw/zinc/35/40/38/185354038.db2.gz IUPDDMZBPOMUAC-JKSUJKDBSA-N 1 2 301.390 1.552 50 30 DDEALO N#Cc1cnn(CCOC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1N ZINC000095463431 185371289 /nfs/dbraw/zinc/37/12/89/185371289.db2.gz MFVZSZVJAOWPQV-UHFFFAOYSA-N 1 2 322.328 1.380 50 30 DDEALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000003420767 181017800 /nfs/dbraw/zinc/01/78/00/181017800.db2.gz FWDOKFSSHFMHEN-GFCCVEGCSA-N 1 2 321.402 1.833 50 30 DDEALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000003420767 181017802 /nfs/dbraw/zinc/01/78/02/181017802.db2.gz FWDOKFSSHFMHEN-GFCCVEGCSA-N 1 2 321.402 1.833 50 30 DDEALO CCC(=O)ONC(=[NH2+])CSc1nc(C)cc2c1C(=O)OC2 ZINC000004727132 181143410 /nfs/dbraw/zinc/14/34/10/181143410.db2.gz MFGXFHGTQJZNMC-UHFFFAOYSA-N 1 2 309.347 1.378 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058265330 184095904 /nfs/dbraw/zinc/09/59/04/184095904.db2.gz PUMSSPWEPQYGDS-MRXNPFEDSA-N 1 2 303.410 1.644 50 30 DDEALO CNc1cc(N2CCC[C@H]2CNc2ccc(C#N)cn2)nc[nH+]1 ZINC000071859442 406853637 /nfs/dbraw/zinc/85/36/37/406853637.db2.gz RQRFHKQBDPTUCS-ZDUSSCGKSA-N 1 2 309.377 1.866 50 30 DDEALO CNc1cc(N2CCC[C@H]2CNc2ccc(C#N)cn2)[nH+]cn1 ZINC000071859442 406853639 /nfs/dbraw/zinc/85/36/39/406853639.db2.gz RQRFHKQBDPTUCS-ZDUSSCGKSA-N 1 2 309.377 1.866 50 30 DDEALO C#CCOc1ccc([N@@H+](C)CCCC(=O)NC(=O)NC)cc1 ZINC000071888400 406862513 /nfs/dbraw/zinc/86/25/13/406862513.db2.gz NWQSNDHOJXOFRU-UHFFFAOYSA-N 1 2 303.362 1.371 50 30 DDEALO C#CCOc1ccc([N@H+](C)CCCC(=O)NC(=O)NC)cc1 ZINC000071888400 406862516 /nfs/dbraw/zinc/86/25/16/406862516.db2.gz NWQSNDHOJXOFRU-UHFFFAOYSA-N 1 2 303.362 1.371 50 30 DDEALO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(C#N)ccc1F ZINC000076066448 406953939 /nfs/dbraw/zinc/95/39/39/406953939.db2.gz YOYKGAVZIJYPJM-NSHDSACASA-N 1 2 301.325 1.782 50 30 DDEALO CS(=O)(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000095350326 407208521 /nfs/dbraw/zinc/20/85/21/407208521.db2.gz WQISHKSOECASKV-UHFFFAOYSA-N 1 2 307.419 1.115 50 30 DDEALO CS(=O)(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000095350326 407208523 /nfs/dbraw/zinc/20/85/23/407208523.db2.gz WQISHKSOECASKV-UHFFFAOYSA-N 1 2 307.419 1.115 50 30 DDEALO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000097201348 407286191 /nfs/dbraw/zinc/28/61/91/407286191.db2.gz DYZNLZVRUQVJGH-CYBMUJFWSA-N 1 2 301.394 1.430 50 30 DDEALO O=C(NC1(CO)Cc2ccccc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328600976 418605194 /nfs/dbraw/zinc/60/51/94/418605194.db2.gz DSAWRQDGVUTHAV-CYBMUJFWSA-N 1 2 311.385 1.932 50 30 DDEALO COC(=O)CCC[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000079021936 353546977 /nfs/dbraw/zinc/54/69/77/353546977.db2.gz RQDVSKGVGQJFGS-UHFFFAOYSA-N 1 2 323.343 1.912 50 30 DDEALO CC(C)(O)C#Cc1ccc(C(=O)NCc2c[nH+]cn2C2CC2)o1 ZINC000584892118 354794647 /nfs/dbraw/zinc/79/46/47/354794647.db2.gz BSLNCWLUKONITK-UHFFFAOYSA-N 1 2 313.357 1.863 50 30 DDEALO Cc1cnn(C2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000069925677 406790466 /nfs/dbraw/zinc/79/04/66/406790466.db2.gz FKOGIOFCPGKMOF-INIZCTEOSA-N 1 2 312.373 1.360 50 30 DDEALO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cn1 ZINC000071797354 406843708 /nfs/dbraw/zinc/84/37/08/406843708.db2.gz RVHRUWMDKYUPRT-ZBFHGGJFSA-N 1 2 301.394 1.365 50 30 DDEALO Cn1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cn1 ZINC000071797354 406843713 /nfs/dbraw/zinc/84/37/13/406843713.db2.gz RVHRUWMDKYUPRT-ZBFHGGJFSA-N 1 2 301.394 1.365 50 30 DDEALO N#Cc1c(Cl)cccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000057381154 407215399 /nfs/dbraw/zinc/21/53/99/407215399.db2.gz LTIJVLIKABBNKU-UHFFFAOYSA-N 1 2 318.808 1.612 50 30 DDEALO C=C[C@@H](CO)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000253419539 277898112 /nfs/dbraw/zinc/89/81/12/277898112.db2.gz OQHUVQYYTANZEN-GJZGRUSLSA-N 1 2 306.431 1.440 50 30 DDEALO C=CCCS(=O)(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000195540552 354296019 /nfs/dbraw/zinc/29/60/19/354296019.db2.gz LXQZNSOKCLDPEM-UHFFFAOYSA-N 1 2 324.446 1.719 50 30 DDEALO C#CCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000069705803 406760783 /nfs/dbraw/zinc/76/07/83/406760783.db2.gz DWLOZKCLZOXDDS-AWEZNQCLSA-N 1 2 301.390 1.717 50 30 DDEALO N#Cc1ccnc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000029447789 406923695 /nfs/dbraw/zinc/92/36/95/406923695.db2.gz VGZKPBRUBYDKLF-QGZVFWFLSA-N 1 2 321.384 1.302 50 30 DDEALO COc1ccc(CNc2[nH+]cnc3c2cnn3CCC#N)cn1 ZINC000097200340 407287078 /nfs/dbraw/zinc/28/70/78/407287078.db2.gz NFJZKFCGVBEUMY-UHFFFAOYSA-N 1 2 309.333 1.756 50 30 DDEALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000171979245 407797549 /nfs/dbraw/zinc/79/75/49/407797549.db2.gz FWZCBSXJDDPKJG-UHFFFAOYSA-N 1 2 321.446 1.746 50 30 DDEALO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cnn(C)c1 ZINC000328800316 409982418 /nfs/dbraw/zinc/98/24/18/409982418.db2.gz YHBVHTXJFKQUBB-NWDGAFQWSA-N 1 2 302.382 1.618 50 30 DDEALO N#CCC(=O)Nc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000006647626 331497470 /nfs/dbraw/zinc/49/74/70/331497470.db2.gz AJPVTVYJZHKZBL-UHFFFAOYSA-N 1 2 311.345 1.555 50 30 DDEALO N#Cc1ccc(OCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000069660317 406750479 /nfs/dbraw/zinc/75/04/79/406750479.db2.gz VXTLYQADPKWXPT-OAHLLOKOSA-N 1 2 310.357 1.997 50 30 DDEALO C#CCN(Cc1[nH+]ccn1CC)S(=O)(=O)c1ccccc1 ZINC000069703269 406760706 /nfs/dbraw/zinc/76/07/06/406760706.db2.gz UKKRXQMMIWLWHP-UHFFFAOYSA-N 1 2 303.387 1.727 50 30 DDEALO CC(C)(C)OC(=O)N1CCN(c2ccc(/C(N)=[NH+]\O)cc2)CC1 ZINC000003883826 406719751 /nfs/dbraw/zinc/71/97/51/406719751.db2.gz XNXLELZXYPNZRJ-UHFFFAOYSA-N 1 2 320.393 1.838 50 30 DDEALO CC(=O)N1CCN(CC(N)=[NH+]OC/C=C/c2ccccc2)CC1 ZINC000069951708 406797339 /nfs/dbraw/zinc/79/73/39/406797339.db2.gz SHLYQWSZWIBEFC-VMPITWQZSA-N 1 2 316.405 1.153 50 30 DDEALO CNc1cc(N2CCC[C@H]2CNc2ncccc2C#N)nc[nH+]1 ZINC000071859436 406853310 /nfs/dbraw/zinc/85/33/10/406853310.db2.gz LHIGGZIVEQCMAC-ZDUSSCGKSA-N 1 2 309.377 1.866 50 30 DDEALO CNc1cc(N2CCC[C@H]2CNc2ncccc2C#N)[nH+]cn1 ZINC000071859436 406853314 /nfs/dbraw/zinc/85/33/14/406853314.db2.gz LHIGGZIVEQCMAC-ZDUSSCGKSA-N 1 2 309.377 1.866 50 30 DDEALO CC(C)(CNc1ccc([N+](=O)[O-])cc1C#N)[NH+]1CCOCC1 ZINC000025784475 406900530 /nfs/dbraw/zinc/90/05/30/406900530.db2.gz WZCIBTUVWRCNQK-UHFFFAOYSA-N 1 2 304.350 1.989 50 30 DDEALO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066892969 407262708 /nfs/dbraw/zinc/26/27/08/407262708.db2.gz WJPYUYKPTQWFNJ-KRWDZBQOSA-N 1 2 313.401 1.772 50 30 DDEALO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066892969 407262709 /nfs/dbraw/zinc/26/27/09/407262709.db2.gz WJPYUYKPTQWFNJ-KRWDZBQOSA-N 1 2 313.401 1.772 50 30 DDEALO O=S(=O)(N=C(O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000067947252 407291113 /nfs/dbraw/zinc/29/11/13/407291113.db2.gz OEZFMOUWMAJWBA-UHFFFAOYSA-N 1 2 323.418 1.365 50 30 DDEALO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)o1 ZINC000229830148 407673618 /nfs/dbraw/zinc/67/36/18/407673618.db2.gz QCMIAXFOTQXRTQ-HUUCEWRRSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)o1 ZINC000229830148 407673624 /nfs/dbraw/zinc/67/36/24/407673624.db2.gz QCMIAXFOTQXRTQ-HUUCEWRRSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)o1 ZINC000229830148 407673629 /nfs/dbraw/zinc/67/36/29/407673629.db2.gz QCMIAXFOTQXRTQ-HUUCEWRRSA-N 1 2 301.394 1.933 50 30 DDEALO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)o1 ZINC000229830148 407673635 /nfs/dbraw/zinc/67/36/35/407673635.db2.gz QCMIAXFOTQXRTQ-HUUCEWRRSA-N 1 2 301.394 1.933 50 30 DDEALO C=CC[NH+]1CCN(c2ccncc2S(=O)(=O)NC(C)C)CC1 ZINC000000481474 277857744 /nfs/dbraw/zinc/85/77/44/277857744.db2.gz BXCBFKAZEFTVFZ-UHFFFAOYSA-N 1 2 324.450 1.076 50 30 DDEALO Cc1cc(=O)[nH]c(NC(=[NH2+])NCCc2c[nH]c3ccccc23)n1 ZINC000019944488 526119969 /nfs/dbraw/zinc/11/99/69/526119969.db2.gz SUTDHLDPXDLEKT-UHFFFAOYSA-N 1 2 310.361 1.338 50 30 DDEALO C#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC ZINC000058357208 184108456 /nfs/dbraw/zinc/10/84/56/184108456.db2.gz AVZRMHFJFXSLNJ-CQSZACIVSA-N 1 2 303.358 1.799 50 30 DDEALO C#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC ZINC000058357208 184108457 /nfs/dbraw/zinc/10/84/57/184108457.db2.gz AVZRMHFJFXSLNJ-CQSZACIVSA-N 1 2 303.358 1.799 50 30 DDEALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000058368123 184109559 /nfs/dbraw/zinc/10/95/59/184109559.db2.gz SKFZAAMELZBYBT-ZDUSSCGKSA-N 1 2 324.425 1.395 50 30 DDEALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000058368123 184109560 /nfs/dbraw/zinc/10/95/60/184109560.db2.gz SKFZAAMELZBYBT-ZDUSSCGKSA-N 1 2 324.425 1.395 50 30 DDEALO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000025290212 406895988 /nfs/dbraw/zinc/89/59/88/406895988.db2.gz PZNPKCDGLBNLLH-UHFFFAOYSA-N 1 2 322.368 1.720 50 30 DDEALO CC(C)Nc1cc(N2CCN(c3ncccc3C#N)CC2)nc[nH+]1 ZINC000065373256 407243708 /nfs/dbraw/zinc/24/37/08/407243708.db2.gz YHWOLUVGIDJBMX-UHFFFAOYSA-N 1 2 323.404 1.890 50 30 DDEALO CC(C)Nc1cc(N2CCN(c3ncccc3C#N)CC2)[nH+]cn1 ZINC000065373256 407243710 /nfs/dbraw/zinc/24/37/10/407243710.db2.gz YHWOLUVGIDJBMX-UHFFFAOYSA-N 1 2 323.404 1.890 50 30 DDEALO C=CCC[C@H](O)CN1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000096473620 407270418 /nfs/dbraw/zinc/27/04/18/407270418.db2.gz VMVJKXDUSBHICZ-HNNXBMFYSA-N 1 2 309.454 1.119 50 30 DDEALO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCCCC1 ZINC000328875071 410000096 /nfs/dbraw/zinc/00/00/96/410000096.db2.gz ZHNLMPYQAJZZCT-KGLIPLIRSA-N 1 2 314.451 1.951 50 30 DDEALO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCCCC1 ZINC000328875071 410000101 /nfs/dbraw/zinc/00/01/01/410000101.db2.gz ZHNLMPYQAJZZCT-KGLIPLIRSA-N 1 2 314.451 1.951 50 30 DDEALO CCc1nc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)sc1C ZINC000329002031 410046385 /nfs/dbraw/zinc/04/63/85/410046385.db2.gz XSCHPNXMLUCMQZ-OLZOCXBDSA-N 1 2 324.450 1.964 50 30 DDEALO CCc1nc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)sc1C ZINC000329002031 410046390 /nfs/dbraw/zinc/04/63/90/410046390.db2.gz XSCHPNXMLUCMQZ-OLZOCXBDSA-N 1 2 324.450 1.964 50 30 DDEALO C=CCn1cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)n1 ZINC000055254611 519278161 /nfs/dbraw/zinc/27/81/61/519278161.db2.gz LBTHMSJKUZEDED-MRXNPFEDSA-N 1 2 318.421 1.201 50 30 DDEALO CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400541 185353923 /nfs/dbraw/zinc/35/39/23/185353923.db2.gz IUPDDMZBPOMUAC-CVEARBPZSA-N 1 2 301.390 1.552 50 30 DDEALO CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400541 185353924 /nfs/dbraw/zinc/35/39/24/185353924.db2.gz IUPDDMZBPOMUAC-CVEARBPZSA-N 1 2 301.390 1.552 50 30 DDEALO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN(CCO)C(=O)C1 ZINC000095425736 185361737 /nfs/dbraw/zinc/36/17/37/185361737.db2.gz ZKPXUWFGTQJMAF-UHFFFAOYSA-N 1 2 301.390 1.124 50 30 DDEALO CC(C)(C#N)c1ccccc1C[N@H+]1CCN(CCO)C(=O)C1 ZINC000095425736 185361738 /nfs/dbraw/zinc/36/17/38/185361738.db2.gz ZKPXUWFGTQJMAF-UHFFFAOYSA-N 1 2 301.390 1.124 50 30 DDEALO COc1cccc(C(=O)ONC(=[NH2+])c2cccnc2)c1OC ZINC000004270868 181090928 /nfs/dbraw/zinc/09/09/28/181090928.db2.gz HEJINFZVUOGYMH-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO COc1ccc(/C=N/N2CCOCC2)cc1C[NH+]1CCOCC1 ZINC000019792538 182149853 /nfs/dbraw/zinc/14/98/53/182149853.db2.gz HXUIWELMZZUCJS-QGOAFFKASA-N 1 2 319.405 1.194 50 30 DDEALO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2cncnc2C1 ZINC000069564927 406733546 /nfs/dbraw/zinc/73/35/46/406733546.db2.gz ZYKUOFYUEKWMKM-UHFFFAOYSA-N 1 2 313.386 1.797 50 30 DDEALO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2cncnc2C1 ZINC000069564927 406733553 /nfs/dbraw/zinc/73/35/53/406733553.db2.gz ZYKUOFYUEKWMKM-UHFFFAOYSA-N 1 2 313.386 1.797 50 30 DDEALO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000067804655 407285311 /nfs/dbraw/zinc/28/53/11/407285311.db2.gz HWQGIFYBADWNRD-HNNXBMFYSA-N 1 2 323.400 1.842 50 30 DDEALO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000067804655 407285312 /nfs/dbraw/zinc/28/53/12/407285312.db2.gz HWQGIFYBADWNRD-HNNXBMFYSA-N 1 2 323.400 1.842 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(C[C@@H](C#N)CCC#N)C[C@H]1C ZINC000106666204 407360970 /nfs/dbraw/zinc/36/09/70/407360970.db2.gz OWBXNFUCPYRACH-HZPDHXFCSA-N 1 2 314.437 1.853 50 30 DDEALO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cnn(C)c1 ZINC000328800317 409981294 /nfs/dbraw/zinc/98/12/94/409981294.db2.gz YHBVHTXJFKQUBB-RYUDHWBXSA-N 1 2 302.382 1.618 50 30 DDEALO CC(C)C[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCCC1 ZINC000046061405 418443506 /nfs/dbraw/zinc/44/35/06/418443506.db2.gz OLDDOFLRFHYBMW-UHFFFAOYSA-N 1 2 308.426 1.162 50 30 DDEALO CC(C)C[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCCC1 ZINC000046061405 418443508 /nfs/dbraw/zinc/44/35/08/418443508.db2.gz OLDDOFLRFHYBMW-UHFFFAOYSA-N 1 2 308.426 1.162 50 30 DDEALO COC(=O)[C@H]1C(=O)C(=C[NH+]=c2cc[nH]cc2)C(=O)CC1(C)C ZINC000100734280 277387154 /nfs/dbraw/zinc/38/71/54/277387154.db2.gz MVNCKTJJRFRZRD-PRWOLLLXSA-N 1 2 302.330 1.735 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(C[C@@H](C#N)CCC#N)C[C@@H]1C ZINC000229513250 201835135 /nfs/dbraw/zinc/83/51/35/201835135.db2.gz OWBXNFUCPYRACH-JKSUJKDBSA-N 1 2 314.437 1.853 50 30 DDEALO N#Cc1nccn1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000331903149 234256627 /nfs/dbraw/zinc/25/66/27/234256627.db2.gz ZIYRERJVCVDKKJ-UHFFFAOYSA-N 1 2 315.402 1.161 50 30 DDEALO COc1cccc(C(=O)ONC(=[NH2+])c2ccncc2)c1OC ZINC000004270870 181090932 /nfs/dbraw/zinc/09/09/32/181090932.db2.gz HYLYUCPTOWEMDB-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO CN1CC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1CCO ZINC000039430388 183018495 /nfs/dbraw/zinc/01/84/95/183018495.db2.gz BMZSSCYIDVUSNE-CQSZACIVSA-N 1 2 322.474 1.369 50 30 DDEALO CN1CC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1CCO ZINC000039430388 183018500 /nfs/dbraw/zinc/01/85/00/183018500.db2.gz BMZSSCYIDVUSNE-CQSZACIVSA-N 1 2 322.474 1.369 50 30 DDEALO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000065492286 184354027 /nfs/dbraw/zinc/35/40/27/184354027.db2.gz CNYAZIFEJSYGDB-UHFFFAOYSA-N 1 2 323.400 1.558 50 30 DDEALO Cc1cc(C)nc(NC(=[NH2+])Nc2cc(=O)n(-c3ccccc3)[nH]2)n1 ZINC000009186926 406803072 /nfs/dbraw/zinc/80/30/72/406803072.db2.gz RBIRPYXPPUKCFI-UHFFFAOYSA-N 1 2 323.360 1.380 50 30 DDEALO N#Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000012171682 406837491 /nfs/dbraw/zinc/83/74/91/406837491.db2.gz VOFDLEWBAFPHRE-UHFFFAOYSA-N 1 2 322.368 1.720 50 30 DDEALO N#Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000014846280 406877488 /nfs/dbraw/zinc/87/74/88/406877488.db2.gz YDLMFVCGBAPHHB-UHFFFAOYSA-N 1 2 322.368 1.720 50 30 DDEALO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)nc1 ZINC000028754147 406919767 /nfs/dbraw/zinc/91/97/67/406919767.db2.gz SFVIYWAEEVFSAN-UHFFFAOYSA-N 1 2 313.405 1.088 50 30 DDEALO NC(=[NH2+])Nc1nc(-c2cc3c(cc2F)NC(=O)CC3)cs1 ZINC000077576513 406997487 /nfs/dbraw/zinc/99/74/87/406997487.db2.gz GQLNEGCOHQFGQV-UHFFFAOYSA-N 1 2 305.338 1.739 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245846015 222218470 /nfs/dbraw/zinc/21/84/70/222218470.db2.gz JJJJSEPVYZWIJK-GOEBONIOSA-N 1 2 303.410 1.611 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245846015 222218474 /nfs/dbraw/zinc/21/84/74/222218474.db2.gz JJJJSEPVYZWIJK-GOEBONIOSA-N 1 2 303.410 1.611 50 30 DDEALO OCC#Cc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000315489283 879084442 /nfs/dbraw/zinc/08/44/42/879084442.db2.gz FSTWJPINPMRLOS-UHFFFAOYSA-N 1 2 312.335 1.710 50 30 DDEALO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1Cl ZINC000092005576 193140568 /nfs/dbraw/zinc/14/05/68/193140568.db2.gz VEPUVPFLEZLZPP-ABAIWWIYSA-N 1 2 324.808 1.979 50 30 DDEALO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1Cl ZINC000092005576 193140570 /nfs/dbraw/zinc/14/05/70/193140570.db2.gz VEPUVPFLEZLZPP-ABAIWWIYSA-N 1 2 324.808 1.979 50 30 DDEALO N#Cc1ccc([C@H]2SCC(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000019898648 182162003 /nfs/dbraw/zinc/16/20/03/182162003.db2.gz NNPKEPNQLWLXPF-MRXNPFEDSA-N 1 2 317.414 1.464 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(c2ccc(C#N)cn2)C[C@H]1C ZINC000106659096 194240653 /nfs/dbraw/zinc/24/06/53/194240653.db2.gz FIQUBTXQDDUOBV-CQSZACIVSA-N 1 2 310.405 1.880 50 30 DDEALO C=CCNS(=O)(=O)Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000095429013 407213118 /nfs/dbraw/zinc/21/31/18/407213118.db2.gz ZOMQKRFMPDGAEI-UHFFFAOYSA-N 1 2 306.391 1.627 50 30 DDEALO C[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)C1 ZINC000096461228 407270154 /nfs/dbraw/zinc/27/01/54/407270154.db2.gz ULAIBIQWSLAEHC-LLVKDONJSA-N 1 2 305.313 1.529 50 30 DDEALO C[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)C1 ZINC000096461228 407270155 /nfs/dbraw/zinc/27/01/55/407270155.db2.gz ULAIBIQWSLAEHC-LLVKDONJSA-N 1 2 305.313 1.529 50 30 DDEALO N#CC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000057210232 184029456 /nfs/dbraw/zinc/02/94/56/184029456.db2.gz KHNPHTZUFQZRSW-INIZCTEOSA-N 1 2 323.462 1.394 50 30 DDEALO Cn1cc(C=CC(=O)ONC(=[NH2+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000006925499 406743769 /nfs/dbraw/zinc/74/37/69/406743769.db2.gz PHRLFJUGJFKNOG-FARCUNLSSA-N 1 2 315.289 1.205 50 30 DDEALO COCCNc1nc(N2CCCC2)c2c(c1C#N)CC[N@@H+](C)C2 ZINC000013815447 406868957 /nfs/dbraw/zinc/86/89/57/406868957.db2.gz OQXBWFYHXTZWJM-UHFFFAOYSA-N 1 2 315.421 1.600 50 30 DDEALO COCCNc1nc(N2CCCC2)c2c(c1C#N)CC[N@H+](C)C2 ZINC000013815447 406868961 /nfs/dbraw/zinc/86/89/61/406868961.db2.gz OQXBWFYHXTZWJM-UHFFFAOYSA-N 1 2 315.421 1.600 50 30 DDEALO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000225575035 407596353 /nfs/dbraw/zinc/59/63/53/407596353.db2.gz BOGBQSZWYOLSQM-CYBMUJFWSA-N 1 2 310.361 1.467 50 30 DDEALO CCN1C[C@@H](C[N@H+](C)CC(=O)NCCC#N)Oc2ccccc21 ZINC000048262187 418467917 /nfs/dbraw/zinc/46/79/17/418467917.db2.gz LHPHXZCXLAAFOL-CQSZACIVSA-N 1 2 316.405 1.236 50 30 DDEALO CCN1C[C@@H](C[N@@H+](C)CC(=O)NCCC#N)Oc2ccccc21 ZINC000048262187 418467919 /nfs/dbraw/zinc/46/79/19/418467919.db2.gz LHPHXZCXLAAFOL-CQSZACIVSA-N 1 2 316.405 1.236 50 30 DDEALO Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000254517154 698408168 /nfs/dbraw/zinc/40/81/68/698408168.db2.gz OXVSPBNYFHEIGE-UHFFFAOYSA-N 1 2 313.361 1.773 50 30 DDEALO COCCCN1CNC(Nc2nc(C)c3ccccc3n2)=[NH+]C1 ZINC000019330361 182115586 /nfs/dbraw/zinc/11/55/86/182115586.db2.gz OFACVRCJRNLVSM-UHFFFAOYSA-N 1 2 314.393 1.372 50 30 DDEALO CNc1cc(N2CCC[C@@H]2CNc2ncccc2C#N)nc[nH+]1 ZINC000071859435 406854288 /nfs/dbraw/zinc/85/42/88/406854288.db2.gz LHIGGZIVEQCMAC-CYBMUJFWSA-N 1 2 309.377 1.866 50 30 DDEALO CNc1cc(N2CCC[C@@H]2CNc2ncccc2C#N)[nH+]cn1 ZINC000071859435 406854289 /nfs/dbraw/zinc/85/42/89/406854289.db2.gz LHIGGZIVEQCMAC-CYBMUJFWSA-N 1 2 309.377 1.866 50 30 DDEALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000022591112 406890999 /nfs/dbraw/zinc/89/09/99/406890999.db2.gz MZCDXNZKIIVIPL-CQSZACIVSA-N 1 2 312.417 1.343 50 30 DDEALO N#Cc1ccccc1OCC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000096405356 407260550 /nfs/dbraw/zinc/26/05/50/407260550.db2.gz QXTLUXARSKOCOU-OAHLLOKOSA-N 1 2 320.414 1.589 50 30 DDEALO N#Cc1ccccc1OCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000096405356 407260552 /nfs/dbraw/zinc/26/05/52/407260552.db2.gz QXTLUXARSKOCOU-OAHLLOKOSA-N 1 2 320.414 1.589 50 30 DDEALO C#CC[N@H+](CC(=O)N[C@H]1CCSC1=O)Cc1ccc(C)cc1 ZINC000096477771 407270881 /nfs/dbraw/zinc/27/08/81/407270881.db2.gz WRRIMUJDCZRKTD-HNNXBMFYSA-N 1 2 316.426 1.579 50 30 DDEALO C#CC[N@@H+](CC(=O)N[C@H]1CCSC1=O)Cc1ccc(C)cc1 ZINC000096477771 407270882 /nfs/dbraw/zinc/27/08/82/407270882.db2.gz WRRIMUJDCZRKTD-HNNXBMFYSA-N 1 2 316.426 1.579 50 30 DDEALO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccnc2)C1 ZINC000097049674 407277257 /nfs/dbraw/zinc/27/72/57/407277257.db2.gz NAOKORUFNUJYAB-ZIAGYGMSSA-N 1 2 302.378 1.930 50 30 DDEALO CCn1cc(C[NH+]2CCN(C(=O)C3CCC3)CC2)cc1C#N ZINC000670467966 484846742 /nfs/dbraw/zinc/84/67/42/484846742.db2.gz GFRPOTKHVHRZDM-UHFFFAOYSA-N 1 2 300.406 1.824 50 30 DDEALO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000022923311 518890878 /nfs/dbraw/zinc/89/08/78/518890878.db2.gz AYFWJKAOGKOOHD-UHFFFAOYSA-N 1 2 317.433 1.423 50 30 DDEALO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000096998115 185395865 /nfs/dbraw/zinc/39/58/65/185395865.db2.gz NAONNVOZYBQEHS-CQSZACIVSA-N 1 2 300.406 1.595 50 30 DDEALO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CCO)C2)cc1 ZINC000081515377 192276432 /nfs/dbraw/zinc/27/64/32/192276432.db2.gz DEVBKIXISIAZRU-AWEZNQCLSA-N 1 2 308.403 1.036 50 30 DDEALO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000081515377 192276434 /nfs/dbraw/zinc/27/64/34/192276434.db2.gz DEVBKIXISIAZRU-AWEZNQCLSA-N 1 2 308.403 1.036 50 30 DDEALO COCCN(Cc1ccc(C#N)cc1)c1[nH+]cnc2c1cnn2C ZINC000063736979 184287188 /nfs/dbraw/zinc/28/71/88/184287188.db2.gz VEDBBSXTQBYPAX-UHFFFAOYSA-N 1 2 322.372 1.888 50 30 DDEALO CC(C)(O)C#Cc1cccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000065410128 184339787 /nfs/dbraw/zinc/33/97/87/184339787.db2.gz OBUSUHRZIZCNGS-UHFFFAOYSA-N 1 2 309.369 1.731 50 30 DDEALO CC(C)(O)C#Cc1cccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000065410128 184339788 /nfs/dbraw/zinc/33/97/88/184339788.db2.gz OBUSUHRZIZCNGS-UHFFFAOYSA-N 1 2 309.369 1.731 50 30 DDEALO C=CCO[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000071863730 406854759 /nfs/dbraw/zinc/85/47/59/406854759.db2.gz NBXVSJLBVIBLKK-RDJZCZTQSA-N 1 2 318.417 1.455 50 30 DDEALO C=CCN1C(=O)C[NH2+]C12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096210937 407251350 /nfs/dbraw/zinc/25/13/50/407251350.db2.gz CATWOSCSROAJFP-UHFFFAOYSA-N 1 2 317.364 1.376 50 30 DDEALO C#CC[NH+]1CCN(C(=O)c2ccnc(O[C@H](C)CC)c2)CC1 ZINC000096495069 407273229 /nfs/dbraw/zinc/27/32/29/407273229.db2.gz KPORTXVZHXRPBG-CQSZACIVSA-N 1 2 301.390 1.650 50 30 DDEALO CCOC(=O)c1cnn(-c2ccc(Cl)nn2)c1[NH+]=CN(C)C ZINC000254438805 407463948 /nfs/dbraw/zinc/46/39/48/407463948.db2.gz DXCHXZSHKAFKDR-UHFFFAOYSA-N 1 2 322.756 1.714 50 30 DDEALO Cn1ncc2c1nc(NCCOc1ccc(C#N)cc1)[nH+]c2N ZINC000225512696 407592617 /nfs/dbraw/zinc/59/26/17/407592617.db2.gz VZUGMFMZCQRXBJ-UHFFFAOYSA-N 1 2 309.333 1.308 50 30 DDEALO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135207666 407992712 /nfs/dbraw/zinc/99/27/12/407992712.db2.gz VPIGPMYLUDBNKQ-HIFRSBDPSA-N 1 2 302.374 1.596 50 30 DDEALO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135207666 407992721 /nfs/dbraw/zinc/99/27/21/407992721.db2.gz VPIGPMYLUDBNKQ-HIFRSBDPSA-N 1 2 302.374 1.596 50 30 DDEALO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1COCCN1CC(F)F ZINC000329395393 410274354 /nfs/dbraw/zinc/27/43/54/410274354.db2.gz VPAWGERQCVVEMY-SKDRFNHKSA-N 1 2 314.336 1.189 50 30 DDEALO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1COCCN1CC(F)F ZINC000329395393 410274360 /nfs/dbraw/zinc/27/43/60/410274360.db2.gz VPAWGERQCVVEMY-SKDRFNHKSA-N 1 2 314.336 1.189 50 30 DDEALO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000247960775 222232772 /nfs/dbraw/zinc/23/27/72/222232772.db2.gz FHQYUDWGYMEQOF-JKSUJKDBSA-N 1 2 314.433 1.815 50 30 DDEALO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000247960775 222232775 /nfs/dbraw/zinc/23/27/75/222232775.db2.gz FHQYUDWGYMEQOF-JKSUJKDBSA-N 1 2 314.433 1.815 50 30 DDEALO C#CCCC1(CCC(=O)NCC(C)(C)[NH+]2CCOCC2)N=N1 ZINC000952881965 775637945 /nfs/dbraw/zinc/63/79/45/775637945.db2.gz OTNUBLNERFYZGE-UHFFFAOYSA-N 1 2 306.410 1.569 50 30 DDEALO C[NH+](C)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 ZINC000056681411 282151055 /nfs/dbraw/zinc/15/10/55/282151055.db2.gz FSNJSRRRTNDNDS-UHFFFAOYSA-N 1 2 302.403 1.922 50 30 DDEALO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000088758022 185264394 /nfs/dbraw/zinc/26/43/94/185264394.db2.gz OXMCABHVASQGNN-AWEZNQCLSA-N 1 2 313.405 1.086 50 30 DDEALO CC(C)(O)C#Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000012381156 352147252 /nfs/dbraw/zinc/14/72/52/352147252.db2.gz LXXWVICYMOWOEA-UHFFFAOYSA-N 1 2 311.385 1.826 50 30 DDEALO CCOC(=O)C[N@@H+]1CCCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000081004560 353643538 /nfs/dbraw/zinc/64/35/38/353643538.db2.gz SMJAKQVRPUZOGE-UHFFFAOYSA-N 1 2 316.405 1.645 50 30 DDEALO CCOC(=O)C[N@H+]1CCCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000081004560 353643541 /nfs/dbraw/zinc/64/35/41/353643541.db2.gz SMJAKQVRPUZOGE-UHFFFAOYSA-N 1 2 316.405 1.645 50 30 DDEALO Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000107142821 353943778 /nfs/dbraw/zinc/94/37/78/353943778.db2.gz GVOKZNKGZQWHCX-KGLIPLIRSA-N 1 2 302.382 1.328 50 30 DDEALO Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000107142821 353943782 /nfs/dbraw/zinc/94/37/82/353943782.db2.gz GVOKZNKGZQWHCX-KGLIPLIRSA-N 1 2 302.382 1.328 50 30 DDEALO C[C@@H]1CN(c2nnc(/[NH+]=C/N3CCOCC3)s2)C[C@H](C)O1 ZINC000016949168 182066132 /nfs/dbraw/zinc/06/61/32/182066132.db2.gz KJYUNKWMXUHYIJ-APYKZIECSA-N 1 2 311.411 1.144 50 30 DDEALO Cc1nnc([C@H](C)[N@@H+]2CCCN(c3ncccc3C#N)CC2)o1 ZINC000065493425 184354121 /nfs/dbraw/zinc/35/41/21/184354121.db2.gz KLMRSUUFMXSQFP-LBPRGKRZSA-N 1 2 312.377 1.918 50 30 DDEALO Cc1nnc([C@H](C)[N@H+]2CCCN(c3ncccc3C#N)CC2)o1 ZINC000065493425 184354122 /nfs/dbraw/zinc/35/41/22/184354122.db2.gz KLMRSUUFMXSQFP-LBPRGKRZSA-N 1 2 312.377 1.918 50 30 DDEALO Cc1nc(C[N@H+]2CCC[C@@H](N(C)c3ccc(C#N)cn3)C2)no1 ZINC000071859524 406854170 /nfs/dbraw/zinc/85/41/70/406854170.db2.gz PZXIOTWVDXTGBB-CQSZACIVSA-N 1 2 312.377 1.746 50 30 DDEALO Cc1nc(C[N@@H+]2CCC[C@@H](N(C)c3ccc(C#N)cn3)C2)no1 ZINC000071859524 406854172 /nfs/dbraw/zinc/85/41/72/406854172.db2.gz PZXIOTWVDXTGBB-CQSZACIVSA-N 1 2 312.377 1.746 50 30 DDEALO C=CC[N@H+](Cc1ccccc1F)Cc1cc(=O)n(C)c(=O)n1C ZINC000059834127 407225061 /nfs/dbraw/zinc/22/50/61/407225061.db2.gz ZJMQLBCHCVDKRG-UHFFFAOYSA-N 1 2 317.364 1.411 50 30 DDEALO C=CC[N@@H+](Cc1ccccc1F)Cc1cc(=O)n(C)c(=O)n1C ZINC000059834127 407225064 /nfs/dbraw/zinc/22/50/64/407225064.db2.gz ZJMQLBCHCVDKRG-UHFFFAOYSA-N 1 2 317.364 1.411 50 30 DDEALO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000072898001 406886778 /nfs/dbraw/zinc/88/67/78/406886778.db2.gz OAGZJCMEGGCPRB-HUUCEWRRSA-N 1 2 312.373 1.310 50 30 DDEALO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000072898001 406886780 /nfs/dbraw/zinc/88/67/80/406886780.db2.gz OAGZJCMEGGCPRB-HUUCEWRRSA-N 1 2 312.373 1.310 50 30 DDEALO C=CC[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2OC)CC1 ZINC000055070099 407193567 /nfs/dbraw/zinc/19/35/67/407193567.db2.gz JALUFANNXKNTPT-UHFFFAOYSA-N 1 2 320.389 1.656 50 30 DDEALO COc1ccc(CCN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000096971692 407275285 /nfs/dbraw/zinc/27/52/85/407275285.db2.gz LTLGRXLZJQMWBD-UHFFFAOYSA-N 1 2 317.433 1.786 50 30 DDEALO COc1ccc(CC[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000096971692 407275288 /nfs/dbraw/zinc/27/52/88/407275288.db2.gz LTLGRXLZJQMWBD-UHFFFAOYSA-N 1 2 317.433 1.786 50 30 DDEALO COc1ccc(CC[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000096971692 407275290 /nfs/dbraw/zinc/27/52/90/407275290.db2.gz LTLGRXLZJQMWBD-UHFFFAOYSA-N 1 2 317.433 1.786 50 30 DDEALO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000170603793 407450950 /nfs/dbraw/zinc/45/09/50/407450950.db2.gz SGDUHMRGRWHOHX-HNNXBMFYSA-N 1 2 323.356 1.384 50 30 DDEALO Oc1ccc2ccccc2c1/C=N/C12CN3CN(C1)CC[N@H+](C3)C2 ZINC000101363384 418494186 /nfs/dbraw/zinc/49/41/86/418494186.db2.gz QFZSMDVUUHMSJC-AWQFTUOYSA-N 1 2 322.412 1.565 50 30 DDEALO Oc1ccc2ccccc2c1/C=N/C12CN3CN(C1)CC[N@@H+](C3)C2 ZINC000101363384 418494191 /nfs/dbraw/zinc/49/41/91/418494191.db2.gz QFZSMDVUUHMSJC-AWQFTUOYSA-N 1 2 322.412 1.565 50 30 DDEALO Cn1ccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000252478809 222244957 /nfs/dbraw/zinc/24/49/57/222244957.db2.gz AVIVHFBUDXGPIY-UHFFFAOYSA-N 1 2 323.400 1.916 50 30 DDEALO Cc1nc2c(c(C)n1)C[C@@H](C[N@@H+]1CCCn3nc(C#N)cc3C1)O2 ZINC000670473494 484851638 /nfs/dbraw/zinc/85/16/38/484851638.db2.gz ORFCQWFDMOFGAU-HNNXBMFYSA-N 1 2 324.388 1.371 50 30 DDEALO Cc1nc2c(c(C)n1)C[C@@H](C[N@H+]1CCCn3nc(C#N)cc3C1)O2 ZINC000670473494 484851645 /nfs/dbraw/zinc/85/16/45/484851645.db2.gz ORFCQWFDMOFGAU-HNNXBMFYSA-N 1 2 324.388 1.371 50 30 DDEALO Cc1cc(C)c(C#N)c(N2CCC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000072141810 191049789 /nfs/dbraw/zinc/04/97/89/191049789.db2.gz BNORKNPFIYAOHX-HNNXBMFYSA-N 1 2 300.406 1.871 50 30 DDEALO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](CCO)C2)cc1 ZINC000081515376 192277291 /nfs/dbraw/zinc/27/72/91/192277291.db2.gz DEVBKIXISIAZRU-CQSZACIVSA-N 1 2 308.403 1.036 50 30 DDEALO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000081515376 192277293 /nfs/dbraw/zinc/27/72/93/192277293.db2.gz DEVBKIXISIAZRU-CQSZACIVSA-N 1 2 308.403 1.036 50 30 DDEALO CC(C)CNC(=O)C[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000023466957 182361760 /nfs/dbraw/zinc/36/17/60/182361760.db2.gz LPJLRNIAJVPAPP-UHFFFAOYSA-N 1 2 314.433 1.448 50 30 DDEALO N#Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000048278068 407093934 /nfs/dbraw/zinc/09/39/34/407093934.db2.gz DVNITBAPQKHCKK-UHFFFAOYSA-N 1 2 324.793 1.777 50 30 DDEALO CCn1nc([N+](=O)[O-])nc1N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000252596814 408804885 /nfs/dbraw/zinc/80/48/85/408804885.db2.gz CMQQAVWPIPQQCJ-UHFFFAOYSA-N 1 2 303.326 1.718 50 30 DDEALO C=CCN1C(=O)N=NC1SCC[NH+]1CCC(F)(F)CC1 ZINC000952993106 721534029 /nfs/dbraw/zinc/53/40/29/721534029.db2.gz WJNODAJNBWKFCY-UHFFFAOYSA-N 1 2 304.366 1.993 50 30 DDEALO CN(Cc1[nH+]ccn1C)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000095394089 185352182 /nfs/dbraw/zinc/35/21/82/185352182.db2.gz OAJSMFJVDUPMPW-UHFFFAOYSA-N 1 2 304.375 1.254 50 30 DDEALO NC(=[NH+]OCC(=O)NCc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000075106478 353347686 /nfs/dbraw/zinc/34/76/86/353347686.db2.gz ITODFAQRACKRLN-NSHDSACASA-N 1 2 311.769 1.282 50 30 DDEALO COc1ccc(C(=O)ONC(=[NH2+])c2ccncc2)c(OC)c1 ZINC000004318655 181097477 /nfs/dbraw/zinc/09/74/77/181097477.db2.gz RPDSUWSGSLZOTD-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO Cc1cc(NC(=O)CO[NH+]=C(N)c2ccc(Cl)cc2)no1 ZINC000015572931 182007749 /nfs/dbraw/zinc/00/77/49/182007749.db2.gz WGAUXJWVOWVDHS-UHFFFAOYSA-N 1 2 308.725 1.912 50 30 DDEALO C=CCNC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC000016562307 182049124 /nfs/dbraw/zinc/04/91/24/182049124.db2.gz FOKYCZDLJOJJRH-UHFFFAOYSA-N 1 2 308.378 1.446 50 30 DDEALO C=CCNC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC000016562307 182049126 /nfs/dbraw/zinc/04/91/26/182049126.db2.gz FOKYCZDLJOJJRH-UHFFFAOYSA-N 1 2 308.378 1.446 50 30 DDEALO C=CCNC(=O)NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000072286227 406878529 /nfs/dbraw/zinc/87/85/29/406878529.db2.gz XNZOFUYPPJFLOA-AWEZNQCLSA-N 1 2 319.430 1.788 50 30 DDEALO C=CCNC(=O)NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000072286227 406878532 /nfs/dbraw/zinc/87/85/32/406878532.db2.gz XNZOFUYPPJFLOA-AWEZNQCLSA-N 1 2 319.430 1.788 50 30 DDEALO CC[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735670 407092420 /nfs/dbraw/zinc/09/24/20/407092420.db2.gz HKXZSQJNXJNCQH-LSDHHAIUSA-N 1 2 305.422 1.640 50 30 DDEALO C#CCOc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1C ZINC000096435297 407266042 /nfs/dbraw/zinc/26/60/42/407266042.db2.gz OENVVBBSXQIUNU-UHFFFAOYSA-N 1 2 302.309 1.893 50 30 DDEALO C=CCC[C@@H](O)CN1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000096473621 407270440 /nfs/dbraw/zinc/27/04/40/407270440.db2.gz VMVJKXDUSBHICZ-OAHLLOKOSA-N 1 2 309.454 1.119 50 30 DDEALO C#CC[NH+]1CCC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000170599965 407449309 /nfs/dbraw/zinc/44/93/09/407449309.db2.gz MFISUOZYLGXGHX-UHFFFAOYSA-N 1 2 303.318 1.584 50 30 DDEALO CO[C@H](C)C(N)=[NH+]OCC(=O)N(Cc1ccsc1)C1CC1 ZINC000075092372 353346121 /nfs/dbraw/zinc/34/61/21/353346121.db2.gz YEQUUKFQVYOKQZ-SNVBAGLBSA-N 1 2 311.407 1.563 50 30 DDEALO CC(C)(O)C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000019972547 182172063 /nfs/dbraw/zinc/17/20/63/182172063.db2.gz JISRSXNKQJSUGC-UHFFFAOYSA-N 1 2 303.362 1.491 50 30 DDEALO C[NH+]1CCN(C(=C(O)NC2=NCCS2)c2ccccc2)CC1 ZINC000068512682 406646249 /nfs/dbraw/zinc/64/62/49/406646249.db2.gz DSVXQCIDFCJUGY-AWEZNQCLSA-N 1 2 318.446 1.194 50 30 DDEALO C=CCNC(=O)Nc1ccccc1OCC[NH+]1CCN(C)CC1 ZINC000071883794 406861519 /nfs/dbraw/zinc/86/15/19/406861519.db2.gz QQOVSMBYMOJJJY-UHFFFAOYSA-N 1 2 318.421 1.620 50 30 DDEALO C=CCn1nc(C)c(C[N@H+]2CCn3nc([C@@H](C)O)cc3C2)c1C ZINC000219955105 407534358 /nfs/dbraw/zinc/53/43/58/407534358.db2.gz PISMNMMCMTXFHC-CQSZACIVSA-N 1 2 315.421 1.952 50 30 DDEALO C=CCn1nc(C)c(C[N@@H+]2CCn3nc([C@@H](C)O)cc3C2)c1C ZINC000219955105 407534367 /nfs/dbraw/zinc/53/43/67/407534367.db2.gz PISMNMMCMTXFHC-CQSZACIVSA-N 1 2 315.421 1.952 50 30 DDEALO COC(=O)CCN1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000154773484 337383359 /nfs/dbraw/zinc/38/33/59/337383359.db2.gz MLTMJSSWJYXTJG-LBPRGKRZSA-N 1 2 307.419 1.689 50 30 DDEALO COC(=O)CCN1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000154773484 337383360 /nfs/dbraw/zinc/38/33/60/337383360.db2.gz MLTMJSSWJYXTJG-LBPRGKRZSA-N 1 2 307.419 1.689 50 30 DDEALO COc1ccc(C(=O)ONC(=[NH2+])c2cccnc2)c(OC)c1 ZINC000018250220 523769587 /nfs/dbraw/zinc/76/95/87/523769587.db2.gz MJJKZNGPNRBGCU-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO C#CCCC1(CCC(=O)NCC2([NH+]3CCOCC3)CC2)N=N1 ZINC000952881573 775636666 /nfs/dbraw/zinc/63/66/66/775636666.db2.gz ODFWRHNLFBWLAY-UHFFFAOYSA-N 1 2 304.394 1.323 50 30 DDEALO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069484853 353163149 /nfs/dbraw/zinc/16/31/49/353163149.db2.gz OOXNKOMWIBSABS-GFCCVEGCSA-N 1 2 316.390 1.314 50 30 DDEALO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069484853 353163153 /nfs/dbraw/zinc/16/31/53/353163153.db2.gz OOXNKOMWIBSABS-GFCCVEGCSA-N 1 2 316.390 1.314 50 30 DDEALO CN(C)C(=O)OCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000158168109 354228432 /nfs/dbraw/zinc/22/84/32/354228432.db2.gz LTTGRVBNXALVFT-UHFFFAOYSA-N 1 2 320.368 1.518 50 30 DDEALO C#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC ZINC000058357207 184108542 /nfs/dbraw/zinc/10/85/42/184108542.db2.gz AVZRMHFJFXSLNJ-AWEZNQCLSA-N 1 2 303.358 1.799 50 30 DDEALO C#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC ZINC000058357207 184108544 /nfs/dbraw/zinc/10/85/44/184108544.db2.gz AVZRMHFJFXSLNJ-AWEZNQCLSA-N 1 2 303.358 1.799 50 30 DDEALO CC(C)N1C(=O)CN(C[N@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000065553577 184365416 /nfs/dbraw/zinc/36/54/16/184365416.db2.gz CNUVKJQBSPERKJ-UHFFFAOYSA-N 1 2 300.362 1.620 50 30 DDEALO CC(C)N1C(=O)CN(C[N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000065553577 184365418 /nfs/dbraw/zinc/36/54/18/184365418.db2.gz CNUVKJQBSPERKJ-UHFFFAOYSA-N 1 2 300.362 1.620 50 30 DDEALO CC(C)(CNC(=O)COc1ccccc1C#N)[NH+]1CCOCC1 ZINC000014119110 406871051 /nfs/dbraw/zinc/87/10/51/406871051.db2.gz HFSNVCFNRGNWHT-UHFFFAOYSA-N 1 2 317.389 1.164 50 30 DDEALO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000072898002 406886280 /nfs/dbraw/zinc/88/62/80/406886280.db2.gz OAGZJCMEGGCPRB-LSDHHAIUSA-N 1 2 312.373 1.310 50 30 DDEALO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000072898002 406886282 /nfs/dbraw/zinc/88/62/82/406886282.db2.gz OAGZJCMEGGCPRB-LSDHHAIUSA-N 1 2 312.373 1.310 50 30 DDEALO COc1cc([N+](=O)[O-])c(C#N)cc1OCCC[NH+]1CCOCC1 ZINC000034645718 406964671 /nfs/dbraw/zinc/96/46/71/406964671.db2.gz FYCDMKYKGPHRFW-UHFFFAOYSA-N 1 2 321.333 1.576 50 30 DDEALO C[C@H](Cn1cccn1)[NH+]=C([O-])N1CC[NH+](Cc2ccco2)CC1 ZINC000044969760 407036393 /nfs/dbraw/zinc/03/63/93/407036393.db2.gz BTHBFQIGIPMPQP-CQSZACIVSA-N 1 2 317.393 1.596 50 30 DDEALO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000225574999 407597342 /nfs/dbraw/zinc/59/73/42/407597342.db2.gz BOGBQSZWYOLSQM-ZDUSSCGKSA-N 1 2 310.361 1.467 50 30 DDEALO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cnc2ccccc2c1 ZINC000281285236 408878116 /nfs/dbraw/zinc/87/81/16/408878116.db2.gz IZMZSNPKSCAPSH-UHFFFAOYSA-N 1 2 300.362 1.938 50 30 DDEALO C=CCn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)n1 ZINC000055254606 519278990 /nfs/dbraw/zinc/27/89/90/519278990.db2.gz LBTHMSJKUZEDED-INIZCTEOSA-N 1 2 318.421 1.201 50 30 DDEALO C[C@@H]1CCc2nc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)sc2C1 ZINC000328826435 539298958 /nfs/dbraw/zinc/29/89/58/539298958.db2.gz JIKYDGRTUJRHLQ-GHMZBOCLSA-N 1 2 324.450 1.924 50 30 DDEALO C[C@@H]1CCc2nc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)sc2C1 ZINC000328826435 539298959 /nfs/dbraw/zinc/29/89/59/539298959.db2.gz JIKYDGRTUJRHLQ-GHMZBOCLSA-N 1 2 324.450 1.924 50 30 DDEALO O=C1C[N@H+](Cc2ccc(C#CCO)cc2)CCN1c1ccccc1 ZINC000082121979 192359582 /nfs/dbraw/zinc/35/95/82/192359582.db2.gz MCENKQQTVLQOQY-UHFFFAOYSA-N 1 2 320.392 1.879 50 30 DDEALO O=C1C[N@@H+](Cc2ccc(C#CCO)cc2)CCN1c1ccccc1 ZINC000082121979 192359584 /nfs/dbraw/zinc/35/95/84/192359584.db2.gz MCENKQQTVLQOQY-UHFFFAOYSA-N 1 2 320.392 1.879 50 30 DDEALO C=CCNC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020097945 182186230 /nfs/dbraw/zinc/18/62/30/182186230.db2.gz WIIGZGBCFWVMHG-UHFFFAOYSA-N 1 2 319.430 1.593 50 30 DDEALO COc1ncnc2c1C[N@H+](CCOc1ccc(C#N)cc1)CC2 ZINC000065473994 184351438 /nfs/dbraw/zinc/35/14/38/184351438.db2.gz DGNXUETYZJIFAY-UHFFFAOYSA-N 1 2 310.357 1.794 50 30 DDEALO COc1ncnc2c1C[N@@H+](CCOc1ccc(C#N)cc1)CC2 ZINC000065473994 184351440 /nfs/dbraw/zinc/35/14/40/184351440.db2.gz DGNXUETYZJIFAY-UHFFFAOYSA-N 1 2 310.357 1.794 50 30 DDEALO C#CC(C)(C)OC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586559 257213391 /nfs/dbraw/zinc/21/33/91/257213391.db2.gz VSBGTVQMBMNZPL-UONOGXRCSA-N 1 2 314.385 1.222 50 30 DDEALO C#CC(C)(C)OC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586559 257213392 /nfs/dbraw/zinc/21/33/92/257213392.db2.gz VSBGTVQMBMNZPL-UONOGXRCSA-N 1 2 314.385 1.222 50 30 DDEALO N#CC1(NC(=O)CN2CCn3cc[nH+]c3C2)CCCCCC1 ZINC000097201179 407286872 /nfs/dbraw/zinc/28/68/72/407286872.db2.gz XNMHPVKLJMOPJK-UHFFFAOYSA-N 1 2 301.394 1.431 50 30 DDEALO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000170663323 407471532 /nfs/dbraw/zinc/47/15/32/407471532.db2.gz GIHZSQNOHCHENY-LLVKDONJSA-N 1 2 311.382 1.198 50 30 DDEALO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000170663323 407471538 /nfs/dbraw/zinc/47/15/38/407471538.db2.gz GIHZSQNOHCHENY-LLVKDONJSA-N 1 2 311.382 1.198 50 30 DDEALO C=CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000328597934 418605077 /nfs/dbraw/zinc/60/50/77/418605077.db2.gz JMBONVGYGQGELP-ZDUSSCGKSA-N 1 2 317.393 1.425 50 30 DDEALO C=CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000328597934 418605079 /nfs/dbraw/zinc/60/50/79/418605079.db2.gz JMBONVGYGQGELP-ZDUSSCGKSA-N 1 2 317.393 1.425 50 30 DDEALO Cc1nc(N)c(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)c[nH+]1 ZINC000328591998 418605336 /nfs/dbraw/zinc/60/53/36/418605336.db2.gz LPBLENHYTWXNTQ-CYBMUJFWSA-N 1 2 302.309 1.967 50 30 DDEALO C[C@@H](C(=O)ONC(=[NH2+])c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000008553244 524302821 /nfs/dbraw/zinc/30/28/21/524302821.db2.gz MZARBBXWEPWNRA-SNVBAGLBSA-N 1 2 314.301 1.957 50 30 DDEALO N#CCCn1ncc2c1nc[nH+]c2NCCNc1cnccn1 ZINC000065519825 526467641 /nfs/dbraw/zinc/46/76/41/526467641.db2.gz NIPFPAQBEZQQPY-UHFFFAOYSA-N 1 2 309.337 1.054 50 30 DDEALO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cncn1 ZINC000027578597 406910850 /nfs/dbraw/zinc/91/08/50/406910850.db2.gz YWOGDIHRDAEBTL-CQSZACIVSA-N 1 2 324.388 1.055 50 30 DDEALO CC(C)C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051261494 407138523 /nfs/dbraw/zinc/13/85/23/407138523.db2.gz FSQDIPGNTLYTCG-UHFFFAOYSA-N 1 2 301.390 1.737 50 30 DDEALO C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)[NH+]1CCOCC1 ZINC000097473146 407298289 /nfs/dbraw/zinc/29/82/89/407298289.db2.gz HCSAYCJQLXJCPX-NSHDSACASA-N 1 2 306.341 1.540 50 30 DDEALO CC1CCN(c2ccc(/C=[NH+]/NC(N)=S)cc2[N+](=O)[O-])CC1 ZINC000005261114 352113471 /nfs/dbraw/zinc/11/34/71/352113471.db2.gz AUSRQGWYMVBZSC-CXUHLZMHSA-N 1 2 321.406 1.998 50 30 DDEALO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cncnc3C2)cc1 ZINC000069632827 406748744 /nfs/dbraw/zinc/74/87/44/406748744.db2.gz XFEPBSIPJRZNGC-HNNXBMFYSA-N 1 2 310.357 1.146 50 30 DDEALO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3cncnc3C2)cc1 ZINC000069632827 406748750 /nfs/dbraw/zinc/74/87/50/406748750.db2.gz XFEPBSIPJRZNGC-HNNXBMFYSA-N 1 2 310.357 1.146 50 30 DDEALO CCNC(=S)NC(=[NH2+])Nc1nc(C)c2cc(C)ccc2n1 ZINC000013519188 406863340 /nfs/dbraw/zinc/86/33/40/406863340.db2.gz MVIQVAKBTNQPHQ-UHFFFAOYSA-N 1 2 302.407 1.677 50 30 DDEALO Cc1nnc([C@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)[nH]1 ZINC000076048475 406952188 /nfs/dbraw/zinc/95/21/88/406952188.db2.gz SDAKPXYKFVNPTL-OAHLLOKOSA-N 1 2 313.361 1.437 50 30 DDEALO Cc1nnc([C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)[nH]1 ZINC000076048475 406952189 /nfs/dbraw/zinc/95/21/89/406952189.db2.gz SDAKPXYKFVNPTL-OAHLLOKOSA-N 1 2 313.361 1.437 50 30 DDEALO N#Cc1ccccc1N1CCC[N@H+](Cc2nnnn2C2CC2)CC1 ZINC000095350327 407207945 /nfs/dbraw/zinc/20/79/45/407207945.db2.gz DJZNHMQSHFUEJN-UHFFFAOYSA-N 1 2 323.404 1.592 50 30 DDEALO N#Cc1ccccc1N1CCC[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC000095350327 407207949 /nfs/dbraw/zinc/20/79/49/407207949.db2.gz DJZNHMQSHFUEJN-UHFFFAOYSA-N 1 2 323.404 1.592 50 30 DDEALO C[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000076054584 300108193 /nfs/dbraw/zinc/10/81/93/300108193.db2.gz VEMSITWWHXAAHH-GJZGRUSLSA-N 1 2 305.422 1.640 50 30 DDEALO Cc1c(C(=O)ONC(=[NH2+])c2cccnc2)cccc1[N+](=O)[O-] ZINC000004723539 525668529 /nfs/dbraw/zinc/66/85/29/525668529.db2.gz RQQANDVZADSTSE-UHFFFAOYSA-N 1 2 300.274 1.776 50 30 DDEALO [NH2+]=C(NOC(=O)Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000018161848 526803801 /nfs/dbraw/zinc/80/38/01/526803801.db2.gz ZNIFCGNLDPWOHO-UHFFFAOYSA-N 1 2 300.274 1.396 50 30 DDEALO CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)NCc1ccccc1Cl ZINC000075092369 353346416 /nfs/dbraw/zinc/34/64/16/353346416.db2.gz CPZLPOHUVPEXDQ-VHSXEESVSA-N 1 2 313.785 1.668 50 30 DDEALO C=CCNC(=O)C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000057380604 184036966 /nfs/dbraw/zinc/03/69/66/184036966.db2.gz UPMALNVKEUHFHM-UHFFFAOYSA-N 1 2 317.418 1.116 50 30 DDEALO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCN1Cc1nccn1C ZINC000069598876 406744042 /nfs/dbraw/zinc/74/40/42/406744042.db2.gz SMIHVYWQLSDUNU-OAHLLOKOSA-N 1 2 309.417 1.998 50 30 DDEALO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCN1Cc1nccn1C ZINC000069598876 406744049 /nfs/dbraw/zinc/74/40/49/406744049.db2.gz SMIHVYWQLSDUNU-OAHLLOKOSA-N 1 2 309.417 1.998 50 30 DDEALO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000106929006 407367929 /nfs/dbraw/zinc/36/79/29/407367929.db2.gz ORLIYFKSYYTZHS-INIZCTEOSA-N 1 2 323.400 1.946 50 30 DDEALO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000106929006 407367931 /nfs/dbraw/zinc/36/79/31/407367931.db2.gz ORLIYFKSYYTZHS-INIZCTEOSA-N 1 2 323.400 1.946 50 30 DDEALO C=CC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000087107033 337377164 /nfs/dbraw/zinc/37/71/64/337377164.db2.gz FBQXNKDZXWZRHQ-LSDHHAIUSA-N 1 2 322.453 1.289 50 30 DDEALO NC(Cc1cccc(Br)c1)=[NH+]O[C@H]1CCNC1=O ZINC000095971793 696603403 /nfs/dbraw/zinc/60/34/03/696603403.db2.gz MRAVHZYZSLOJBT-JTQLQIEISA-N 1 2 312.167 1.169 50 30 DDEALO NC(=[NH+]O[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1 ZINC000075092280 353346336 /nfs/dbraw/zinc/34/63/36/353346336.db2.gz MNCXXXKVRSVIGT-CQSZACIVSA-N 1 2 321.352 1.243 50 30 DDEALO CCOC(=O)N1CC[C@H]([N@@H+]2CCCn3nc(C#N)cc3C2)C1 ZINC000584894212 354795477 /nfs/dbraw/zinc/79/54/77/354795477.db2.gz VERKHRLHSQDLEP-ZDUSSCGKSA-N 1 2 303.366 1.191 50 30 DDEALO CCOC(=O)N1CC[C@H]([N@H+]2CCCn3nc(C#N)cc3C2)C1 ZINC000584894212 354795479 /nfs/dbraw/zinc/79/54/79/354795479.db2.gz VERKHRLHSQDLEP-ZDUSSCGKSA-N 1 2 303.366 1.191 50 30 DDEALO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000058332020 184106771 /nfs/dbraw/zinc/10/67/71/184106771.db2.gz KPEVOHGNNNUCGC-CYBMUJFWSA-N 1 2 316.380 1.510 50 30 DDEALO O=C(NCC#CC[NH+]1CCOCC1)NCc1ccc(Cl)cc1 ZINC000075164913 406926074 /nfs/dbraw/zinc/92/60/74/406926074.db2.gz IKXVUBDVFJUNRL-UHFFFAOYSA-N 1 2 321.808 1.475 50 30 DDEALO C[C@H]1CC[C@@H](CO)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000095436524 185365206 /nfs/dbraw/zinc/36/52/06/185365206.db2.gz FRVFQLZZVHCJQZ-DZGCQCFKSA-N 1 2 322.430 1.425 50 30 DDEALO C[C@H]1CC[C@@H](CO)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000095436524 185365207 /nfs/dbraw/zinc/36/52/07/185365207.db2.gz FRVFQLZZVHCJQZ-DZGCQCFKSA-N 1 2 322.430 1.425 50 30 DDEALO C=CCNC(=O)C[NH+]1CCN(c2cncc(SCC)n2)CC1 ZINC000065519627 184358728 /nfs/dbraw/zinc/35/87/28/184358728.db2.gz GYMUKXWYSYCIEX-UHFFFAOYSA-N 1 2 321.450 1.013 50 30 DDEALO C=CCO[C@H](C)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000071863739 406855181 /nfs/dbraw/zinc/85/51/81/406855181.db2.gz NBXVSJLBVIBLKK-NVXWUHKLSA-N 1 2 318.417 1.455 50 30 DDEALO N#Cc1ccc(C(=O)NC[C@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000244691907 407931289 /nfs/dbraw/zinc/93/12/89/407931289.db2.gz JLARXTMZTIDLDN-CQSZACIVSA-N 1 2 321.384 1.995 50 30 DDEALO COc1ccc(C(N)=[NH+]OCC(=O)NC2CCCCC2)cc1 ZINC000032936833 523369891 /nfs/dbraw/zinc/36/98/91/523369891.db2.gz GDDJLJMPCJZNCG-UHFFFAOYSA-N 1 2 305.378 1.781 50 30 DDEALO NC(=[NH+]OCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCOC1 ZINC000080289464 353600375 /nfs/dbraw/zinc/60/03/75/353600375.db2.gz HGCNUGFSEHPYOE-ZZTKBFGJSA-N 1 2 321.421 1.397 50 30 DDEALO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000188598008 200272674 /nfs/dbraw/zinc/27/26/74/200272674.db2.gz VPIGPMYLUDBNKQ-DZGCQCFKSA-N 1 2 302.374 1.596 50 30 DDEALO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000188598008 200272676 /nfs/dbraw/zinc/27/26/76/200272676.db2.gz VPIGPMYLUDBNKQ-DZGCQCFKSA-N 1 2 302.374 1.596 50 30 DDEALO CCOC(=O)c1c2cc(O)c(C#N)cc2n(C)c1C[NH+](C)C ZINC000043204139 183344549 /nfs/dbraw/zinc/34/45/49/183344549.db2.gz GTHFOTFRCSPIHA-UHFFFAOYSA-N 1 2 301.346 1.994 50 30 DDEALO CNC(=O)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000065541029 184363006 /nfs/dbraw/zinc/36/30/06/184363006.db2.gz NWSDEOXAJXXRJA-UHFFFAOYSA-N 1 2 318.377 1.165 50 30 DDEALO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069741759 406765485 /nfs/dbraw/zinc/76/54/85/406765485.db2.gz FUWPVDDBNFZZKT-CYBMUJFWSA-N 1 2 315.402 1.919 50 30 DDEALO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069741759 406765491 /nfs/dbraw/zinc/76/54/91/406765491.db2.gz FUWPVDDBNFZZKT-CYBMUJFWSA-N 1 2 315.402 1.919 50 30 DDEALO CN(CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C#N)cn1 ZINC000069917946 406791700 /nfs/dbraw/zinc/79/17/00/406791700.db2.gz CLLFNDBMMBSXEA-HNNXBMFYSA-N 1 2 324.388 1.450 50 30 DDEALO CCc1nnc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)o1 ZINC000071824876 406847250 /nfs/dbraw/zinc/84/72/50/406847250.db2.gz YTTNDNLNOVXFSS-UHFFFAOYSA-N 1 2 312.377 1.611 50 30 DDEALO CCc1nnc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)o1 ZINC000071824876 406847253 /nfs/dbraw/zinc/84/72/53/406847253.db2.gz YTTNDNLNOVXFSS-UHFFFAOYSA-N 1 2 312.377 1.611 50 30 DDEALO N#Cc1cccnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000071844453 406852569 /nfs/dbraw/zinc/85/25/69/406852569.db2.gz ZGUWOIPBTCINJL-HNNXBMFYSA-N 1 2 304.419 1.573 50 30 DDEALO Cc1nnc(N2CC[NH+](Cc3cccnc3)CC2)c(C#N)c1C ZINC000024055706 406891519 /nfs/dbraw/zinc/89/15/19/406891519.db2.gz BQJDQIZVIZGBJB-UHFFFAOYSA-N 1 2 308.389 1.682 50 30 DDEALO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160404675 408479571 /nfs/dbraw/zinc/47/95/71/408479571.db2.gz YPHOVAQXXXMVDT-OAHLLOKOSA-N 1 2 316.361 1.767 50 30 DDEALO C[N@@H+]1CCc2c(C#N)c(NC[C@H]3CCCO3)n3cnnc3c2C1 ZINC000013689221 277186906 /nfs/dbraw/zinc/18/69/06/277186906.db2.gz XRMDOTRLSSGWPY-LLVKDONJSA-N 1 2 312.377 1.180 50 30 DDEALO C[N@H+]1CCc2c(C#N)c(NC[C@H]3CCCO3)n3cnnc3c2C1 ZINC000013689221 277186907 /nfs/dbraw/zinc/18/69/07/277186907.db2.gz XRMDOTRLSSGWPY-LLVKDONJSA-N 1 2 312.377 1.180 50 30 DDEALO CCN1CC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)[C@H](C)C1=O ZINC000065387362 279363778 /nfs/dbraw/zinc/36/37/78/279363778.db2.gz OAVFYEAYTODPDZ-OAHLLOKOSA-N 1 2 314.429 1.862 50 30 DDEALO CCN1CC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)[C@H](C)C1=O ZINC000065387362 279363779 /nfs/dbraw/zinc/36/37/79/279363779.db2.gz OAVFYEAYTODPDZ-OAHLLOKOSA-N 1 2 314.429 1.862 50 30 DDEALO C[C@H](C(=O)ONC(=[NH2+])c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000006175491 526186314 /nfs/dbraw/zinc/18/63/14/526186314.db2.gz MZARBBXWEPWNRA-JTQLQIEISA-N 1 2 314.301 1.957 50 30 DDEALO CCc1cc(N2CC[NH+](Cc3cc(C#N)c(C)[nH]3)CC2)ncn1 ZINC000584895984 354797260 /nfs/dbraw/zinc/79/72/60/354797260.db2.gz USAGZWJFWFFDDD-UHFFFAOYSA-N 1 2 310.405 1.869 50 30 DDEALO N#Cc1nc(-c2ccco2)oc1NCCC[NH+]1CCOCC1 ZINC000020358512 182211122 /nfs/dbraw/zinc/21/11/22/182211122.db2.gz YQUTYJMYLVGWMN-UHFFFAOYSA-N 1 2 302.334 1.940 50 30 DDEALO COc1c2c(cc3c1[C@@H](C#CC(C)(C)O)[N@H+](C)CC3)OCO2 ZINC000020759084 406886970 /nfs/dbraw/zinc/88/69/70/406886970.db2.gz OROLHBZWRRMVSW-GFCCVEGCSA-N 1 2 303.358 1.727 50 30 DDEALO COc1c2c(cc3c1[C@@H](C#CC(C)(C)O)[N@@H+](C)CC3)OCO2 ZINC000020759084 406886973 /nfs/dbraw/zinc/88/69/73/406886973.db2.gz OROLHBZWRRMVSW-GFCCVEGCSA-N 1 2 303.358 1.727 50 30 DDEALO Cc1nnc(CN(C)[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)n1C ZINC000089735951 353778613 /nfs/dbraw/zinc/77/86/13/353778613.db2.gz ZJYTYMZGTDMTEY-GJZGRUSLSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(CN(C)[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)n1C ZINC000089735951 353778616 /nfs/dbraw/zinc/77/86/16/353778616.db2.gz ZJYTYMZGTDMTEY-GJZGRUSLSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(C[N@H+](C)[C@H]2CCN(C[C@H](C#N)CCC#N)C2)n1C ZINC000089735951 353778618 /nfs/dbraw/zinc/77/86/18/353778618.db2.gz ZJYTYMZGTDMTEY-GJZGRUSLSA-N 1 2 315.425 1.073 50 30 DDEALO Cc1nnc(C[N@@H+](C)[C@H]2CCN(C[C@H](C#N)CCC#N)C2)n1C ZINC000089735951 353778620 /nfs/dbraw/zinc/77/86/20/353778620.db2.gz ZJYTYMZGTDMTEY-GJZGRUSLSA-N 1 2 315.425 1.073 50 30 DDEALO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC000225575174 354318482 /nfs/dbraw/zinc/31/84/82/354318482.db2.gz SSCPWKDXELNOFT-ZDUSSCGKSA-N 1 2 310.361 1.467 50 30 DDEALO COc1nccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000328588950 418605324 /nfs/dbraw/zinc/60/53/24/418605324.db2.gz VAFZGUHQHDBDEI-UHFFFAOYSA-N 1 2 302.338 1.564 50 30 DDEALO COc1nccc([NH+]=C([O-])N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000328588950 418605326 /nfs/dbraw/zinc/60/53/26/418605326.db2.gz VAFZGUHQHDBDEI-UHFFFAOYSA-N 1 2 302.338 1.564 50 30 DDEALO C[NH+]1CCN(C(=C(O)NC2=NCCS2)c2ccccc2)CC1 ZINC000068512684 290053848 /nfs/dbraw/zinc/05/38/48/290053848.db2.gz DSVXQCIDFCJUGY-CQSZACIVSA-N 1 2 318.446 1.194 50 30 DDEALO C=CC[N@H+](Cc1cccs1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000065415473 518791283 /nfs/dbraw/zinc/79/12/83/518791283.db2.gz HMYDMLHKWMGQQB-UHFFFAOYSA-N 1 2 315.402 1.906 50 30 DDEALO C=CC[N@@H+](Cc1cccs1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000065415473 518791288 /nfs/dbraw/zinc/79/12/88/518791288.db2.gz HMYDMLHKWMGQQB-UHFFFAOYSA-N 1 2 315.402 1.906 50 30 DDEALO CCCC[C@@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000075106012 353347540 /nfs/dbraw/zinc/34/75/40/353347540.db2.gz GKNPJJYHJZVQBP-MRXNPFEDSA-N 1 2 301.390 1.928 50 30 DDEALO CCCC[C@@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000075106012 353347541 /nfs/dbraw/zinc/34/75/41/353347541.db2.gz GKNPJJYHJZVQBP-MRXNPFEDSA-N 1 2 301.390 1.928 50 30 DDEALO CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1=O ZINC000084597404 353724727 /nfs/dbraw/zinc/72/47/27/353724727.db2.gz PDFRVJHJPFSWMQ-KRWDZBQOSA-N 1 2 312.373 1.463 50 30 DDEALO CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC000084597404 353724729 /nfs/dbraw/zinc/72/47/29/353724729.db2.gz PDFRVJHJPFSWMQ-KRWDZBQOSA-N 1 2 312.373 1.463 50 30 DDEALO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000069372044 406702731 /nfs/dbraw/zinc/70/27/31/406702731.db2.gz VNKKIBNMXBDVRG-MRXNPFEDSA-N 1 2 312.373 1.535 50 30 DDEALO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000069372044 406702736 /nfs/dbraw/zinc/70/27/36/406702736.db2.gz VNKKIBNMXBDVRG-MRXNPFEDSA-N 1 2 312.373 1.535 50 30 DDEALO Cn1cc[nH+]c1CN1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000069598874 406742537 /nfs/dbraw/zinc/74/25/37/406742537.db2.gz RRPZCWJUCJGCKY-UHFFFAOYSA-N 1 2 313.380 1.749 50 30 DDEALO Cn1cc[nH+]c1CN1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000071863809 406855014 /nfs/dbraw/zinc/85/50/14/406855014.db2.gz LZYNVVOXUFHPBE-UHFFFAOYSA-N 1 2 323.400 1.640 50 30 DDEALO COc1ccc(CCNC(=O)CO[NH+]=C(N)COC(C)C)cc1 ZINC000063460420 407233600 /nfs/dbraw/zinc/23/36/00/407233600.db2.gz FVGPGKWARTUWEC-UHFFFAOYSA-N 1 2 323.393 1.068 50 30 DDEALO CS(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000253413039 407442996 /nfs/dbraw/zinc/44/29/96/407442996.db2.gz SVKLIMKTQHYITH-HUUCEWRRSA-N 1 2 305.403 1.024 50 30 DDEALO CS(=O)(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000253413039 407443001 /nfs/dbraw/zinc/44/30/01/407443001.db2.gz SVKLIMKTQHYITH-HUUCEWRRSA-N 1 2 305.403 1.024 50 30 DDEALO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000048041154 418463521 /nfs/dbraw/zinc/46/35/21/418463521.db2.gz LBPPRMHNJUHKSR-UHFFFAOYSA-N 1 2 320.349 1.429 50 30 DDEALO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000048041154 418463525 /nfs/dbraw/zinc/46/35/25/418463525.db2.gz LBPPRMHNJUHKSR-UHFFFAOYSA-N 1 2 320.349 1.429 50 30 DDEALO CCOC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000032668171 520574909 /nfs/dbraw/zinc/57/49/09/520574909.db2.gz IWLQMOFUNNYGMV-UHFFFAOYSA-N 1 2 321.421 1.604 50 30 DDEALO CC(=O)N1CC[NH+](Cc2ccc(C#Cc3cn[nH]c3)cc2)CC1 ZINC000952995082 721534691 /nfs/dbraw/zinc/53/46/91/721534691.db2.gz CNIJZZKYCWISMM-UHFFFAOYSA-N 1 2 308.385 1.474 50 30 DDEALO C#CC[NH+]1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000097373578 353918550 /nfs/dbraw/zinc/91/85/50/353918550.db2.gz UFECWUVEZNSOIT-OAHLLOKOSA-N 1 2 322.836 1.639 50 30 DDEALO N#Cc1ccccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000069814897 406775683 /nfs/dbraw/zinc/77/56/83/406775683.db2.gz AYCVLFREMLFVFD-UHFFFAOYSA-N 1 2 319.372 1.318 50 30 DDEALO CC(=O)N1CCN(CC(N)=[NH+]OC/C=C\c2ccccc2)CC1 ZINC000096291718 407257952 /nfs/dbraw/zinc/25/79/52/407257952.db2.gz SHLYQWSZWIBEFC-YVMONPNESA-N 1 2 316.405 1.153 50 30 DDEALO C=C(C)COCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000095940541 407214972 /nfs/dbraw/zinc/21/49/72/407214972.db2.gz NXZWMMGOFXXWNL-UHFFFAOYSA-N 1 2 318.421 1.896 50 30 DDEALO C#CCC[NH+]1CCN(S(=O)(=O)c2cn([C@@H](C)CC)cn2)CC1 ZINC000096472520 407270790 /nfs/dbraw/zinc/27/07/90/407270790.db2.gz JBKFRQDGCIQUJC-AWEZNQCLSA-N 1 2 324.450 1.184 50 30 DDEALO C[C@H](C(N)=O)[NH+]1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000225465405 407587127 /nfs/dbraw/zinc/58/71/27/407587127.db2.gz LRWDRJHGNQBJSX-SNVBAGLBSA-N 1 2 324.787 1.342 50 30 DDEALO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cn1 ZINC000229560126 407666697 /nfs/dbraw/zinc/66/66/97/407666697.db2.gz RVHRUWMDKYUPRT-HOCLYGCPSA-N 1 2 301.394 1.365 50 30 DDEALO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cn1 ZINC000229560126 407666702 /nfs/dbraw/zinc/66/67/02/407666702.db2.gz RVHRUWMDKYUPRT-HOCLYGCPSA-N 1 2 301.394 1.365 50 30 DDEALO [NH2+]=C(NOC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000006225442 526809256 /nfs/dbraw/zinc/80/92/56/526809256.db2.gz HWPQAMOKHVILJB-UHFFFAOYSA-N 1 2 300.274 1.396 50 30 DDEALO CCN1CCN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329899440 529136528 /nfs/dbraw/zinc/13/65/28/529136528.db2.gz FMXSSUZFXBWYNY-KBPBESRZSA-N 1 2 321.425 1.224 50 30 DDEALO C#CCCC1(CCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)N=N1 ZINC000952881172 775635140 /nfs/dbraw/zinc/63/51/40/775635140.db2.gz LGWFHDAGYLHBGA-HUUCEWRRSA-N 1 2 318.421 1.664 50 30 DDEALO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000079044797 185148765 /nfs/dbraw/zinc/14/87/65/185148765.db2.gz WPSXPSBUCQTBBO-UHFFFAOYSA-N 1 2 316.386 1.844 50 30 DDEALO N#Cc1csc(C[NH+]2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC000097032590 185399497 /nfs/dbraw/zinc/39/94/97/185399497.db2.gz IZZLQELYHLHBAV-UHFFFAOYSA-N 1 2 320.418 1.190 50 30 DDEALO N#Cc1nccnc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000110682225 194348934 /nfs/dbraw/zinc/34/89/34/194348934.db2.gz OQPAMLSYGFXFAJ-IAGOWNOFSA-N 1 2 321.384 1.438 50 30 DDEALO N#Cc1nccnc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000110682225 194348937 /nfs/dbraw/zinc/34/89/37/194348937.db2.gz OQPAMLSYGFXFAJ-IAGOWNOFSA-N 1 2 321.384 1.438 50 30 DDEALO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ncccc2C)CC1 ZINC000065407692 184339278 /nfs/dbraw/zinc/33/92/78/184339278.db2.gz ZQMJBAJTKIGBTB-UHFFFAOYSA-N 1 2 314.433 1.713 50 30 DDEALO Cc1nnc(NCc2ccc[nH+]c2N2CCOCC2)c(C#N)c1C ZINC000044908375 407033223 /nfs/dbraw/zinc/03/32/23/407033223.db2.gz DLWKCRNYEBATCA-UHFFFAOYSA-N 1 2 324.388 1.809 50 30 DDEALO Cn1ncc2c1CCC[C@H]2Nc1[nH+]cnc2c1cnn2CCC#N ZINC000097200275 407286404 /nfs/dbraw/zinc/28/64/04/407286404.db2.gz QBLOXHFGKVOSOT-CYBMUJFWSA-N 1 2 322.376 1.963 50 30 DDEALO CCCC(=O)N1CC[N@H+](Cc2ccccc2C#N)C[C@@H](O)C1 ZINC000097553273 407299600 /nfs/dbraw/zinc/29/96/00/407299600.db2.gz DDADEOVEGXZNNI-MRXNPFEDSA-N 1 2 301.390 1.363 50 30 DDEALO CCCC(=O)N1CC[N@@H+](Cc2ccccc2C#N)C[C@@H](O)C1 ZINC000097553273 407299601 /nfs/dbraw/zinc/29/96/01/407299601.db2.gz DDADEOVEGXZNNI-MRXNPFEDSA-N 1 2 301.390 1.363 50 30 DDEALO C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068756983 518998004 /nfs/dbraw/zinc/99/80/04/518998004.db2.gz YVWJGNGPSXHJPP-DOTOQJQBSA-N 1 2 318.417 1.595 50 30 DDEALO C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068756983 518998009 /nfs/dbraw/zinc/99/80/09/518998009.db2.gz YVWJGNGPSXHJPP-DOTOQJQBSA-N 1 2 318.417 1.595 50 30 DDEALO C[NH+](C)Cc1nc(CNS(=O)(=O)c2cccc(C#N)c2)co1 ZINC000952881152 775635024 /nfs/dbraw/zinc/63/50/24/775635024.db2.gz QKGGYZDQZWMSBH-UHFFFAOYSA-N 1 2 320.374 1.086 50 30 DDEALO Cc1[nH+]c2n(c1C)CCN(CC(=O)Nc1sccc1C#N)C2 ZINC000065464566 184349300 /nfs/dbraw/zinc/34/93/00/184349300.db2.gz ZHGHUEGIQNTJOS-UHFFFAOYSA-N 1 2 315.402 1.887 50 30 DDEALO C=C(C)CN(CC)C(=O)C1=C(C)NC(=O)N[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000065399179 184336884 /nfs/dbraw/zinc/33/68/84/184336884.db2.gz JUXZDDQATNYXOF-ZDUSSCGKSA-N 1 2 317.393 1.771 50 30 DDEALO [NH2+]=C(NOC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000005059668 406730001 /nfs/dbraw/zinc/73/00/01/406730001.db2.gz UWFOZZLLNOXJPR-UHFFFAOYSA-N 1 2 316.273 1.232 50 30 DDEALO C#CC[NH+]1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000029436572 406923853 /nfs/dbraw/zinc/92/38/53/406923853.db2.gz LTTDNCLCLNNPTR-UHFFFAOYSA-N 1 2 305.765 1.456 50 30 DDEALO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C(C)(C)O)CC1 ZINC000241965608 407913632 /nfs/dbraw/zinc/91/36/32/407913632.db2.gz UUIHGAPTDJHLCT-CYBMUJFWSA-N 1 2 301.390 1.534 50 30 DDEALO O=C(NCCn1cc[nH+]c1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000328588679 418605690 /nfs/dbraw/zinc/60/56/90/418605690.db2.gz VHAUQUHAGKITBI-KGLIPLIRSA-N 1 2 319.409 1.178 50 30 DDEALO O=C([C@@H]1CC[C@H]([NH+]=C([O-])NCCn2cc[nH+]c2)C1)N1CCCC1 ZINC000328588679 418605693 /nfs/dbraw/zinc/60/56/93/418605693.db2.gz VHAUQUHAGKITBI-KGLIPLIRSA-N 1 2 319.409 1.178 50 30 DDEALO CC(C)(O)C#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000072157772 275552608 /nfs/dbraw/zinc/55/26/08/275552608.db2.gz GWNRAGQUQSUYTP-UHFFFAOYSA-N 1 2 309.369 1.662 50 30 DDEALO Cc1cc([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH]n1 ZINC000084110918 483988641 /nfs/dbraw/zinc/98/86/41/483988641.db2.gz LILXDMRTJHGSMF-CQSZACIVSA-N 1 2 315.421 1.850 50 30 DDEALO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH]n1 ZINC000084110918 483988650 /nfs/dbraw/zinc/98/86/50/483988650.db2.gz LILXDMRTJHGSMF-CQSZACIVSA-N 1 2 315.421 1.850 50 30 DDEALO Cc1cc([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)n[nH]1 ZINC000084110918 483988658 /nfs/dbraw/zinc/98/86/58/483988658.db2.gz LILXDMRTJHGSMF-CQSZACIVSA-N 1 2 315.421 1.850 50 30 DDEALO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)n[nH]1 ZINC000084110918 483988664 /nfs/dbraw/zinc/98/86/64/483988664.db2.gz LILXDMRTJHGSMF-CQSZACIVSA-N 1 2 315.421 1.850 50 30 DDEALO Cc1ncc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c(C)n1 ZINC000330698477 223138250 /nfs/dbraw/zinc/13/82/50/223138250.db2.gz DZLAMQWZVQWPBX-UHFFFAOYSA-N 1 2 318.381 1.778 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(c2ncccc2C#N)C[C@@H]1C ZINC000069599138 406743047 /nfs/dbraw/zinc/74/30/47/406743047.db2.gz OVXFDBPKIAUPBH-AWEZNQCLSA-N 1 2 310.405 1.880 50 30 DDEALO C#CC[NH+]1CCN(C(=O)CNc2ccccc2-n2cccn2)CC1 ZINC000075105177 406921930 /nfs/dbraw/zinc/92/19/30/406921930.db2.gz YWIOCSVIUNRUDR-UHFFFAOYSA-N 1 2 323.400 1.062 50 30 DDEALO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000032437930 406948009 /nfs/dbraw/zinc/94/80/09/406948009.db2.gz QPDCONIWFGQGIB-UHFFFAOYSA-N 1 2 316.386 1.498 50 30 DDEALO C=CCn1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)c(C)n1 ZINC000055393263 407203075 /nfs/dbraw/zinc/20/30/75/407203075.db2.gz LERVMQKOMQJMRH-UHFFFAOYSA-N 1 2 323.404 1.361 50 30 DDEALO C=C(C)C[NH+]1CCN(C(=O)c2cnc(-c3ccccn3)nc2)CC1 ZINC000952961500 775664742 /nfs/dbraw/zinc/66/47/42/775664742.db2.gz QDLCRGVZZJJNFR-UHFFFAOYSA-N 1 2 323.400 1.873 50 30 DDEALO CC(C)(C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088524313 185254820 /nfs/dbraw/zinc/25/48/20/185254820.db2.gz GHGDBMCSSDLMCH-MRXNPFEDSA-N 1 2 314.433 1.784 50 30 DDEALO C#CCNC(=O)c1ccc(=O)n(Cc2c(C)[nH+]c3ccccn32)c1 ZINC000095401593 185354634 /nfs/dbraw/zinc/35/46/34/185354634.db2.gz GECKRQGERZOTEJ-UHFFFAOYSA-N 1 2 320.352 1.216 50 30 DDEALO Cc1nc(C)n(C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)n1 ZINC000072253435 191087171 /nfs/dbraw/zinc/08/71/71/191087171.db2.gz UJYPXRJHFMNTLW-KRWDZBQOSA-N 1 2 311.389 1.668 50 30 DDEALO Cc1nc(C)n(C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)n1 ZINC000072253435 191087173 /nfs/dbraw/zinc/08/71/73/191087173.db2.gz UJYPXRJHFMNTLW-KRWDZBQOSA-N 1 2 311.389 1.668 50 30 DDEALO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000015545385 182005808 /nfs/dbraw/zinc/00/58/08/182005808.db2.gz FXHXXIDXRBETNV-AWEZNQCLSA-N 1 2 303.406 1.508 50 30 DDEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000017843409 182086755 /nfs/dbraw/zinc/08/67/55/182086755.db2.gz XJLJHRNGKUIHNG-UHFFFAOYSA-N 1 2 322.368 1.205 50 30 DDEALO C[N@@H+]1CCc2c(C#N)c(NCc3ccco3)n3cnnc3c2C1 ZINC000013725550 406867467 /nfs/dbraw/zinc/86/74/67/406867467.db2.gz QVNKRZWTZZSNKG-UHFFFAOYSA-N 1 2 308.345 1.794 50 30 DDEALO C[N@H+]1CCc2c(C#N)c(NCc3ccco3)n3cnnc3c2C1 ZINC000013725550 406867469 /nfs/dbraw/zinc/86/74/69/406867469.db2.gz QVNKRZWTZZSNKG-UHFFFAOYSA-N 1 2 308.345 1.794 50 30 DDEALO Cn1ncc2c1nc(C[N@H+](C)Cc1ccc(C#N)cc1)[nH]c2=O ZINC000052827604 407157246 /nfs/dbraw/zinc/15/72/46/407157246.db2.gz BLSMEAPENMPCNZ-UHFFFAOYSA-N 1 2 308.345 1.160 50 30 DDEALO Cn1ncc2c1nc(C[N@@H+](C)Cc1ccc(C#N)cc1)[nH]c2=O ZINC000052827604 407157248 /nfs/dbraw/zinc/15/72/48/407157248.db2.gz BLSMEAPENMPCNZ-UHFFFAOYSA-N 1 2 308.345 1.160 50 30 DDEALO C#CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C1CCCC1 ZINC000097014189 407275434 /nfs/dbraw/zinc/27/54/34/407275434.db2.gz IPOVRXRZIMZMDT-OAHLLOKOSA-N 1 2 306.454 1.210 50 30 DDEALO C[C@@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1[nH+]ccn1C ZINC000106869139 407363780 /nfs/dbraw/zinc/36/37/80/407363780.db2.gz JDRBUEPHCPTOSP-HUUCEWRRSA-N 1 2 300.410 1.370 50 30 DDEALO C(=NN1CCOCC1)c1cccc(C=[NH+]N2CCOCC2)c1 ZINC000254522090 407466976 /nfs/dbraw/zinc/46/69/76/407466976.db2.gz VFOZQDRATRNJEJ-UHFFFAOYSA-N 1 2 302.378 1.019 50 30 DDEALO Cc1cc([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH]n1 ZINC000084110921 483989281 /nfs/dbraw/zinc/98/92/81/483989281.db2.gz LILXDMRTJHGSMF-AWEZNQCLSA-N 1 2 315.421 1.850 50 30 DDEALO Cc1cc([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH]n1 ZINC000084110921 483989285 /nfs/dbraw/zinc/98/92/85/483989285.db2.gz LILXDMRTJHGSMF-AWEZNQCLSA-N 1 2 315.421 1.850 50 30 DDEALO Cc1cc([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)n[nH]1 ZINC000084110921 483989287 /nfs/dbraw/zinc/98/92/87/483989287.db2.gz LILXDMRTJHGSMF-AWEZNQCLSA-N 1 2 315.421 1.850 50 30 DDEALO Cc1cc([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)n[nH]1 ZINC000084110921 483989290 /nfs/dbraw/zinc/98/92/90/483989290.db2.gz LILXDMRTJHGSMF-AWEZNQCLSA-N 1 2 315.421 1.850 50 30 DDEALO N#CCCN(CC[NH+]1CCOCC1)Cc1csc([N+](=O)[O-])c1 ZINC000081211953 526456242 /nfs/dbraw/zinc/45/62/42/526456242.db2.gz ASMJFRNEIXBQCJ-UHFFFAOYSA-N 1 2 324.406 1.704 50 30 DDEALO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)s1 ZINC000828322829 759614824 /nfs/dbraw/zinc/61/48/24/759614824.db2.gz JYYYWLAZMSAHRR-GFCCVEGCSA-N 1 2 320.414 1.507 50 30 DDEALO CC(C)(O)C#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)s1 ZINC000828322829 759614827 /nfs/dbraw/zinc/61/48/27/759614827.db2.gz JYYYWLAZMSAHRR-GFCCVEGCSA-N 1 2 320.414 1.507 50 30 DDEALO N#Cc1cc(F)ccc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000069367675 283097950 /nfs/dbraw/zinc/09/79/50/283097950.db2.gz OLHWOQFXIBYKSN-UHFFFAOYSA-N 1 2 302.353 1.687 50 30 DDEALO CCn1cc[nH+]c1CN1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000069453225 406715774 /nfs/dbraw/zinc/71/57/74/406715774.db2.gz HENXLCBYMPTMLK-OAHLLOKOSA-N 1 2 300.410 1.464 50 30 DDEALO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014923908 406877296 /nfs/dbraw/zinc/87/72/96/406877296.db2.gz FDLGTULKNYVFEL-CYBMUJFWSA-N 1 2 318.377 1.408 50 30 DDEALO C#CC[NH+]1CCN(C(=O)NCc2cnc(CC(C)C)s2)CC1 ZINC000089908487 407157628 /nfs/dbraw/zinc/15/76/28/407157628.db2.gz RNSXFSFESDQWHI-UHFFFAOYSA-N 1 2 320.462 1.802 50 30 DDEALO Cc1nc(C2([NH2+]CC(=O)N(C)CCC#N)CCCCCC2)no1 ZINC000063511885 407233331 /nfs/dbraw/zinc/23/33/31/407233331.db2.gz HXTXMBAHYDWBPL-UHFFFAOYSA-N 1 2 319.409 1.889 50 30 DDEALO C#CC[NH+]1CCN(C(=O)c2cc(OCC(F)F)ccn2)CC1 ZINC000096496548 407273610 /nfs/dbraw/zinc/27/36/10/407273610.db2.gz TYPRYUQWNJHXNV-UHFFFAOYSA-N 1 2 309.316 1.117 50 30 DDEALO CN(C)C=[NH+]N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000254383873 407463538 /nfs/dbraw/zinc/46/35/38/407463538.db2.gz NSZPRNSBFDKOCQ-UHFFFAOYSA-N 1 2 301.375 1.313 50 30 DDEALO C=C(Cl)CS(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000170608397 407452254 /nfs/dbraw/zinc/45/22/54/407452254.db2.gz XEYGCZIKFQGTFR-UHFFFAOYSA-N 1 2 320.867 1.948 50 30 DDEALO COCc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ncn1 ZINC000329104029 410104227 /nfs/dbraw/zinc/10/42/27/410104227.db2.gz CIZWSVFRQAYCLQ-UHFFFAOYSA-N 1 2 316.365 1.771 50 30 DDEALO C/C(=[NH+]\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000020073972 275730633 /nfs/dbraw/zinc/73/06/33/275730633.db2.gz FXGKTVXATUUSLJ-UKTHLTGXSA-N 1 2 309.282 1.581 50 30 DDEALO C[N@@H+]1CCc2c(C#N)c(NCc3cccnc3)n3cnnc3c2C1 ZINC000013686362 277186974 /nfs/dbraw/zinc/18/69/74/277186974.db2.gz HUCNCJAMIRXGTH-UHFFFAOYSA-N 1 2 319.372 1.596 50 30 DDEALO C[N@H+]1CCc2c(C#N)c(NCc3cccnc3)n3cnnc3c2C1 ZINC000013686362 277186975 /nfs/dbraw/zinc/18/69/75/277186975.db2.gz HUCNCJAMIRXGTH-UHFFFAOYSA-N 1 2 319.372 1.596 50 30 DDEALO COc1c(C)c[nH+]c(Cn2cc([N+](=O)[O-])cc(C#N)c2=O)c1C ZINC000069698386 277363687 /nfs/dbraw/zinc/36/36/87/277363687.db2.gz FFDLGQXLIQGEMW-UHFFFAOYSA-N 1 2 314.301 1.697 50 30 DDEALO CCO[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081513568 192276130 /nfs/dbraw/zinc/27/61/30/192276130.db2.gz LIJCSLSHASHWRA-OAHLLOKOSA-N 1 2 322.430 1.833 50 30 DDEALO CCO[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081513568 192276132 /nfs/dbraw/zinc/27/61/32/192276132.db2.gz LIJCSLSHASHWRA-OAHLLOKOSA-N 1 2 322.430 1.833 50 30 DDEALO N#Cc1cccc(C[NH+]2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC000024251606 182378268 /nfs/dbraw/zinc/37/82/68/182378268.db2.gz RSHGUQPIBUWPJT-UHFFFAOYSA-N 1 2 314.389 1.128 50 30 DDEALO CN(C)c1cc(CNS(=O)(=O)c2cccc(C#N)c2)cc[nH+]1 ZINC000065412713 184340798 /nfs/dbraw/zinc/34/07/98/184340798.db2.gz AQAAKJLGDDRERF-UHFFFAOYSA-N 1 2 316.386 1.498 50 30 DDEALO C[C@@H]1CN(c2nnc(/[NH+]=C/N3CCOCC3)s2)C[C@@H](C)O1 ZINC000001418473 406668635 /nfs/dbraw/zinc/66/86/35/406668635.db2.gz KJYUNKWMXUHYIJ-YMKFKMRUSA-N 1 2 311.411 1.144 50 30 DDEALO CC(=O)C1=C(O)C(=O)N(CCc2c[nH+]c[nH]2)[C@H]1c1cccs1 ZINC000004626063 406727168 /nfs/dbraw/zinc/72/71/68/406727168.db2.gz KPFIDEQPBSSMSM-ZDUSSCGKSA-N 1 2 317.370 1.998 50 30 DDEALO CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c[nH+]2)[C@H]1c1cccs1 ZINC000004626063 406727171 /nfs/dbraw/zinc/72/71/71/406727171.db2.gz KPFIDEQPBSSMSM-ZDUSSCGKSA-N 1 2 317.370 1.998 50 30 DDEALO CC(=O)N1CCN(CC(N)=[NH+]OCc2ccc(Cl)cc2)CC1 ZINC000069968161 406796091 /nfs/dbraw/zinc/79/60/91/406796091.db2.gz LUBWEMGBDKWBKG-UHFFFAOYSA-N 1 2 324.812 1.293 50 30 DDEALO CCc1nc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)sc1C ZINC000329002030 410046659 /nfs/dbraw/zinc/04/66/59/410046659.db2.gz XSCHPNXMLUCMQZ-CHWSQXEVSA-N 1 2 324.450 1.964 50 30 DDEALO CCc1nc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)sc1C ZINC000329002030 410046664 /nfs/dbraw/zinc/04/66/64/410046664.db2.gz XSCHPNXMLUCMQZ-CHWSQXEVSA-N 1 2 324.450 1.964 50 30 DDEALO C=CC[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560108 518774881 /nfs/dbraw/zinc/77/48/81/518774881.db2.gz ZFFRVBZRNZYISU-OAHLLOKOSA-N 1 2 320.414 1.612 50 30 DDEALO C=CC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560108 518774885 /nfs/dbraw/zinc/77/48/85/518774885.db2.gz ZFFRVBZRNZYISU-OAHLLOKOSA-N 1 2 320.414 1.612 50 30 DDEALO C[C@H]1CC[C@H](CO)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000095436522 185365256 /nfs/dbraw/zinc/36/52/56/185365256.db2.gz FRVFQLZZVHCJQZ-ZFWWWQNUSA-N 1 2 322.430 1.425 50 30 DDEALO C[C@H]1CC[C@H](CO)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000095436522 185365257 /nfs/dbraw/zinc/36/52/57/185365257.db2.gz FRVFQLZZVHCJQZ-ZFWWWQNUSA-N 1 2 322.430 1.425 50 30 DDEALO C#CCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000069705804 406759570 /nfs/dbraw/zinc/75/95/70/406759570.db2.gz DWLOZKCLZOXDDS-CQSZACIVSA-N 1 2 301.390 1.717 50 30 DDEALO Cc1ccc(C#N)cc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000069452881 406715828 /nfs/dbraw/zinc/71/58/28/406715828.db2.gz HGFDFNDSWJLCIN-CYBMUJFWSA-N 1 2 302.378 1.709 50 30 DDEALO COc1ccc(O[C@H](C)C(=O)ONC(=[NH2+])c2ccncc2)cc1 ZINC000005014170 406728444 /nfs/dbraw/zinc/72/84/44/406728444.db2.gz USLXHDXHCHNCAC-LLVKDONJSA-N 1 2 315.329 1.721 50 30 DDEALO N#Cc1cccnc1N1CCC[N@@H+](Cn2cc(Cl)cn2)CC1 ZINC000071833143 406850357 /nfs/dbraw/zinc/85/03/57/406850357.db2.gz HLYZXSDANKXEPD-UHFFFAOYSA-N 1 2 316.796 1.973 50 30 DDEALO N#Cc1cccnc1N1CCC[N@H+](Cn2cc(Cl)cn2)CC1 ZINC000071833143 406850360 /nfs/dbraw/zinc/85/03/60/406850360.db2.gz HLYZXSDANKXEPD-UHFFFAOYSA-N 1 2 316.796 1.973 50 30 DDEALO CCn1c[nH+]c2c1CN(S(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000075403581 406932132 /nfs/dbraw/zinc/93/21/32/406932132.db2.gz QPSBBXMSRKPOTQ-UHFFFAOYSA-N 1 2 316.386 1.522 50 30 DDEALO CC[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735668 288252756 /nfs/dbraw/zinc/25/27/56/288252756.db2.gz HKXZSQJNXJNCQH-GJZGRUSLSA-N 1 2 305.422 1.640 50 30 DDEALO CS(=O)(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000095432389 185363375 /nfs/dbraw/zinc/36/33/75/185363375.db2.gz DJYSFJKZTPHCHQ-ZDUSSCGKSA-N 1 2 312.822 1.315 50 30 DDEALO CS(=O)(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000095432389 185363376 /nfs/dbraw/zinc/36/33/76/185363376.db2.gz DJYSFJKZTPHCHQ-ZDUSSCGKSA-N 1 2 312.822 1.315 50 30 DDEALO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC(F)F)CC2)cc1 ZINC000073149223 353240894 /nfs/dbraw/zinc/24/08/94/353240894.db2.gz JPWVYKAAZJPMLQ-UHFFFAOYSA-N 1 2 308.332 1.651 50 30 DDEALO N#Cc1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000019898646 182161877 /nfs/dbraw/zinc/16/18/77/182161877.db2.gz NNPKEPNQLWLXPF-INIZCTEOSA-N 1 2 317.414 1.464 50 30 DDEALO O=C(CSCc1ccccc1)NCC#CC[NH+]1CCOCC1 ZINC000075164852 406925683 /nfs/dbraw/zinc/92/56/83/406925683.db2.gz RXMPXANAMJIZSA-UHFFFAOYSA-N 1 2 318.442 1.372 50 30 DDEALO Cn1ncc2c1nc(C[N@H+](C)Cc1cccc(C#N)c1)[nH]c2=O ZINC000052827600 407157602 /nfs/dbraw/zinc/15/76/02/407157602.db2.gz FDVGJCUGJGLWOB-UHFFFAOYSA-N 1 2 308.345 1.160 50 30 DDEALO Cn1ncc2c1nc(C[N@@H+](C)Cc1cccc(C#N)c1)[nH]c2=O ZINC000052827600 407157605 /nfs/dbraw/zinc/15/76/05/407157605.db2.gz FDVGJCUGJGLWOB-UHFFFAOYSA-N 1 2 308.345 1.160 50 30 DDEALO CN(C(=O)CN1CCn2cc[nH+]c2C1)C1(C#N)CCCCC1 ZINC000097201049 407286876 /nfs/dbraw/zinc/28/68/76/407286876.db2.gz WCNGWTGPMVTBFI-UHFFFAOYSA-N 1 2 301.394 1.384 50 30 DDEALO N#Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000115379337 407674918 /nfs/dbraw/zinc/67/49/18/407674918.db2.gz BUCULGRSAIPCLG-INIZCTEOSA-N 1 2 314.389 1.280 50 30 DDEALO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC000225575204 354318574 /nfs/dbraw/zinc/31/85/74/354318574.db2.gz SSCPWKDXELNOFT-CYBMUJFWSA-N 1 2 310.361 1.467 50 30 DDEALO C=CC[N@@H+](CCS(=O)(=O)CCC(N)=O)Cc1cccs1 ZINC000019540596 182129665 /nfs/dbraw/zinc/12/96/65/182129665.db2.gz HSPXRLCHCPNMGK-UHFFFAOYSA-N 1 2 316.448 1.026 50 30 DDEALO C=CC[N@H+](CCS(=O)(=O)CCC(N)=O)Cc1cccs1 ZINC000019540596 182129667 /nfs/dbraw/zinc/12/96/67/182129667.db2.gz HSPXRLCHCPNMGK-UHFFFAOYSA-N 1 2 316.448 1.026 50 30 DDEALO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCc2c([nH+]cn2C)C1 ZINC000069696858 406757108 /nfs/dbraw/zinc/75/71/08/406757108.db2.gz BTEFJPYMOFIUGK-CYBMUJFWSA-N 1 2 315.421 1.509 50 30 DDEALO N#Cc1cccc(C(=O)N2CCN(CCn3cc[nH+]c3)CC2)c1 ZINC000075158027 406925151 /nfs/dbraw/zinc/92/51/51/406925151.db2.gz YCYYICGPCZZWLF-UHFFFAOYSA-N 1 2 309.373 1.213 50 30 DDEALO N#Cc1cccc(C(=O)N2CC[NH+](CCn3ccnc3)CC2)c1 ZINC000075158027 406925154 /nfs/dbraw/zinc/92/51/54/406925154.db2.gz YCYYICGPCZZWLF-UHFFFAOYSA-N 1 2 309.373 1.213 50 30 DDEALO NC(Cc1ccccc1Cl)=[NH+]OCC(=O)NCC(F)(F)F ZINC000067711767 407281681 /nfs/dbraw/zinc/28/16/81/407281681.db2.gz OGAZXDGDCKQBNM-UHFFFAOYSA-N 1 2 323.702 1.850 50 30 DDEALO COC(CN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1)OC ZINC000225452482 407587643 /nfs/dbraw/zinc/58/76/43/407587643.db2.gz PDUHNYXIVIMXMV-CQSZACIVSA-N 1 2 303.406 1.856 50 30 DDEALO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000078686572 526456886 /nfs/dbraw/zinc/45/68/86/526456886.db2.gz XTYZVVVOBZKDBS-UHFFFAOYSA-N 1 2 318.377 1.643 50 30 DDEALO [NH2+]=C(NOC(=O)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000013153580 526808771 /nfs/dbraw/zinc/80/87/71/526808771.db2.gz LWTNLTMWHJQZKP-UHFFFAOYSA-N 1 2 300.274 1.396 50 30 DDEALO C=CCOc1ccccc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000585131122 739389638 /nfs/dbraw/zinc/38/96/38/739389638.db2.gz MKROKCMRJAIUHW-CYBMUJFWSA-N 1 2 301.346 1.448 50 30 DDEALO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000095432439 185363442 /nfs/dbraw/zinc/36/34/42/185363442.db2.gz NSRBLCUDODYOEK-OAHLLOKOSA-N 1 2 306.337 1.443 50 30 DDEALO COc1ccc(OCC(=O)ONC(=[NH2+])c2cccnc2)cc1 ZINC000004193329 406723505 /nfs/dbraw/zinc/72/35/05/406723505.db2.gz VMCCDHBRITVOIS-UHFFFAOYSA-N 1 2 301.302 1.333 50 30 DDEALO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(C#N)ccc1F ZINC000076066452 406953937 /nfs/dbraw/zinc/95/39/37/406953937.db2.gz YOYKGAVZIJYPJM-LLVKDONJSA-N 1 2 301.325 1.782 50 30 DDEALO C#CC[NH+]1CCN(C(=O)NCc2cccc(N(C)C)c2)CC1 ZINC000089894820 407156005 /nfs/dbraw/zinc/15/60/05/407156005.db2.gz JBRVCEIGFVBPCP-UHFFFAOYSA-N 1 2 300.406 1.213 50 30 DDEALO CCN1C[C@H](C[N@H+](C)CC(=O)NCCC#N)Oc2ccccc21 ZINC000048262185 418468243 /nfs/dbraw/zinc/46/82/43/418468243.db2.gz LHPHXZCXLAAFOL-AWEZNQCLSA-N 1 2 316.405 1.236 50 30 DDEALO CCN1C[C@H](C[N@@H+](C)CC(=O)NCCC#N)Oc2ccccc21 ZINC000048262185 418468246 /nfs/dbraw/zinc/46/82/46/418468246.db2.gz LHPHXZCXLAAFOL-AWEZNQCLSA-N 1 2 316.405 1.236 50 30 DDEALO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc[nH]n3)CC2)cc1 ZINC000048332211 418470691 /nfs/dbraw/zinc/47/06/91/418470691.db2.gz STXAXSRNEROMCY-UHFFFAOYSA-N 1 2 324.388 1.309 50 30 DDEALO CCOc1ccc(O)c(/C=[NH+]\CCCNS(C)(=O)=O)c1 ZINC000606442264 422460167 /nfs/dbraw/zinc/46/01/67/422460167.db2.gz ITASISHVOSVIRS-UVTDQMKNSA-N 1 2 300.380 1.149 50 30 DDEALO C[N@@H+]1CCc2c(C#N)c(NCc3ccccn3)n3cnnc3c2C1 ZINC000013734099 277186863 /nfs/dbraw/zinc/18/68/63/277186863.db2.gz DHOXYVYTJXIBIX-UHFFFAOYSA-N 1 2 319.372 1.596 50 30 DDEALO C[N@H+]1CCc2c(C#N)c(NCc3ccccn3)n3cnnc3c2C1 ZINC000013734099 277186865 /nfs/dbraw/zinc/18/68/65/277186865.db2.gz DHOXYVYTJXIBIX-UHFFFAOYSA-N 1 2 319.372 1.596 50 30 DDEALO C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1Cc1[nH+]ccn1C ZINC000082121836 278801041 /nfs/dbraw/zinc/80/10/41/278801041.db2.gz VGAXSXDODSYHKM-CYBMUJFWSA-N 1 2 309.373 1.529 50 30 DDEALO C#CC[N@@H+](CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000072609684 191201936 /nfs/dbraw/zinc/20/19/36/191201936.db2.gz QXGPCVOJRSTQRA-INIZCTEOSA-N 1 2 319.426 1.286 50 30 DDEALO C#CC[N@H+](CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000072609684 191201939 /nfs/dbraw/zinc/20/19/39/191201939.db2.gz QXGPCVOJRSTQRA-INIZCTEOSA-N 1 2 319.426 1.286 50 30 DDEALO Cc1cc(C(=O)ONC(=[NH2+])c2cccnc2)ccc1[N+](=O)[O-] ZINC000018276808 182101510 /nfs/dbraw/zinc/10/15/10/182101510.db2.gz ZHVUJJLJCVELHA-UHFFFAOYSA-N 1 2 300.274 1.776 50 30 DDEALO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000065576077 184368258 /nfs/dbraw/zinc/36/82/58/184368258.db2.gz RJGJMTFKGGOAKH-UHFFFAOYSA-N 1 2 318.808 1.636 50 30 DDEALO N#Cc1c[nH]c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000096449480 407267910 /nfs/dbraw/zinc/26/79/10/407267910.db2.gz CJHSDPKYFMMBHY-UHFFFAOYSA-N 1 2 324.384 1.723 50 30 DDEALO C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000097114849 407281601 /nfs/dbraw/zinc/28/16/01/407281601.db2.gz KUMCYBGOPAHCGY-QGZVFWFLSA-N 1 2 323.356 1.612 50 30 DDEALO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000280580435 409366908 /nfs/dbraw/zinc/36/69/08/409366908.db2.gz MQOMELLPJRYQJP-UHFFFAOYSA-N 1 2 310.357 1.813 50 30 DDEALO Cc1c(CO[NH+]=C(N)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000078639892 525731751 /nfs/dbraw/zinc/73/17/51/525731751.db2.gz QOHLOOBLXFRHTI-UHFFFAOYSA-N 1 2 308.338 1.024 50 30 DDEALO Cc1ccn2c(c1)nc(CO[NH+]=C(N)c1ccccc1)cc2=O ZINC000028775003 696107230 /nfs/dbraw/zinc/10/72/30/696107230.db2.gz FPSYZFCKUQYFPX-UHFFFAOYSA-N 1 2 308.341 1.840 50 30 DDEALO CCN1C(=O)C[C@@H]([NH+]2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000020608731 182237764 /nfs/dbraw/zinc/23/77/64/182237764.db2.gz FRRLXQBAMVZZAP-OAHLLOKOSA-N 1 2 311.385 1.691 50 30 DDEALO CC(=[NH+]Nc1cc(N2CCOCC2)ncn1)c1ccc(N)cc1 ZINC000004947118 518465440 /nfs/dbraw/zinc/46/54/40/518465440.db2.gz CPVCINUBBNVPMM-UDWIEESQSA-N 1 2 312.377 1.732 50 30 DDEALO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000015545388 182006246 /nfs/dbraw/zinc/00/62/46/182006246.db2.gz FXHXXIDXRBETNV-CQSZACIVSA-N 1 2 303.406 1.508 50 30 DDEALO Cc1nnc(NCC(C)(C)[NH+]2CCN(C)CC2)c(C#N)c1C ZINC000022917025 182340794 /nfs/dbraw/zinc/34/07/94/182340794.db2.gz JALOVSJEOVQERT-UHFFFAOYSA-N 1 2 302.426 1.403 50 30 DDEALO N#CC1(NC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)CCCC1 ZINC000058227081 184090854 /nfs/dbraw/zinc/09/08/54/184090854.db2.gz CPEYBBKRCMCBRD-UHFFFAOYSA-N 1 2 301.394 1.542 50 30 DDEALO CC(=O)C1=C(O)C(=O)N(CCc2c[nH+]c[nH]2)[C@H]1c1ccccc1 ZINC000004625505 406727104 /nfs/dbraw/zinc/72/71/04/406727104.db2.gz WCAJRQABQQQHBZ-HNNXBMFYSA-N 1 2 311.341 1.937 50 30 DDEALO CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c[nH+]2)[C@H]1c1ccccc1 ZINC000004625505 406727106 /nfs/dbraw/zinc/72/71/06/406727106.db2.gz WCAJRQABQQQHBZ-HNNXBMFYSA-N 1 2 311.341 1.937 50 30 DDEALO C#CC[N@H+]1CCCC[C@@H]1C(=O)NCc1nc(-c2ccco2)n[nH]1 ZINC000072275796 406877285 /nfs/dbraw/zinc/87/72/85/406877285.db2.gz QBYQJVDYZVLQIL-GFCCVEGCSA-N 1 2 313.361 1.169 50 30 DDEALO C#CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc(-c2ccco2)n[nH]1 ZINC000072275796 406877287 /nfs/dbraw/zinc/87/72/87/406877287.db2.gz QBYQJVDYZVLQIL-GFCCVEGCSA-N 1 2 313.361 1.169 50 30 DDEALO C#CC[N@H+]1CCCC[C@H]1C(=O)NCc1nc(-c2ccco2)n[nH]1 ZINC000072275797 406877721 /nfs/dbraw/zinc/87/77/21/406877721.db2.gz QBYQJVDYZVLQIL-LBPRGKRZSA-N 1 2 313.361 1.169 50 30 DDEALO C#CC[N@@H+]1CCCC[C@H]1C(=O)NCc1nc(-c2ccco2)n[nH]1 ZINC000072275797 406877725 /nfs/dbraw/zinc/87/77/25/406877725.db2.gz QBYQJVDYZVLQIL-LBPRGKRZSA-N 1 2 313.361 1.169 50 30 DDEALO Cc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)no1 ZINC000029727931 406927065 /nfs/dbraw/zinc/92/70/65/406927065.db2.gz UEAHXKADXZJMIA-OAHLLOKOSA-N 1 2 301.346 1.726 50 30 DDEALO Cc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)no1 ZINC000029727931 406927068 /nfs/dbraw/zinc/92/70/68/406927068.db2.gz UEAHXKADXZJMIA-OAHLLOKOSA-N 1 2 301.346 1.726 50 30 DDEALO C[N@H+](CC(=O)NCCC#N)Cc1ccc(Br)s1 ZINC000048236388 262541500 /nfs/dbraw/zinc/54/15/00/262541500.db2.gz MXFCIQIOLPXFBJ-UHFFFAOYSA-N 1 2 316.224 1.972 50 30 DDEALO C[N@@H+](CC(=O)NCCC#N)Cc1ccc(Br)s1 ZINC000048236388 262541503 /nfs/dbraw/zinc/54/15/03/262541503.db2.gz MXFCIQIOLPXFBJ-UHFFFAOYSA-N 1 2 316.224 1.972 50 30 DDEALO C=CCCOCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000058130434 518702496 /nfs/dbraw/zinc/70/24/96/518702496.db2.gz NLPJDRXDTQEUDR-KRWDZBQOSA-N 1 2 318.417 1.596 50 30 DDEALO C=CCCOCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000058130434 518702506 /nfs/dbraw/zinc/70/25/06/518702506.db2.gz NLPJDRXDTQEUDR-KRWDZBQOSA-N 1 2 318.417 1.596 50 30 DDEALO C#CCCC1(CCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)N=N1 ZINC000952881171 775635292 /nfs/dbraw/zinc/63/52/92/775635292.db2.gz LGWFHDAGYLHBGA-GJZGRUSLSA-N 1 2 318.421 1.664 50 30 DDEALO C[C@@H](C#N)CN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045968564 295692846 /nfs/dbraw/zinc/69/28/46/295692846.db2.gz OIGSYIXZAZNKFQ-ZDUSSCGKSA-N 1 2 317.393 1.219 50 30 DDEALO N#Cc1csc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000093014897 193193414 /nfs/dbraw/zinc/19/34/14/193193414.db2.gz XDSPKILBDFVRCT-OAHLLOKOSA-N 1 2 319.430 1.833 50 30 DDEALO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000093014897 193193416 /nfs/dbraw/zinc/19/34/16/193193416.db2.gz XDSPKILBDFVRCT-OAHLLOKOSA-N 1 2 319.430 1.833 50 30 DDEALO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000072270382 406877466 /nfs/dbraw/zinc/87/74/66/406877466.db2.gz ZTCJXZALPHGIHP-GJZGRUSLSA-N 1 2 302.378 1.098 50 30 DDEALO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000072270382 406877468 /nfs/dbraw/zinc/87/74/68/406877468.db2.gz ZTCJXZALPHGIHP-GJZGRUSLSA-N 1 2 302.378 1.098 50 30 DDEALO C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000031106859 406937037 /nfs/dbraw/zinc/93/70/37/406937037.db2.gz ZUSOMGAKISVTLR-CYBMUJFWSA-N 1 2 302.378 1.251 50 30 DDEALO COc1nccc(N2CC[NH+](Cc3ncccc3C)CC2)c1C#N ZINC000077356152 406986459 /nfs/dbraw/zinc/98/64/59/406986459.db2.gz IIAUBGMGJHYDSL-UHFFFAOYSA-N 1 2 323.400 1.988 50 30 DDEALO COc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000096971624 407274832 /nfs/dbraw/zinc/27/48/32/407274832.db2.gz VZTSFIRKPNHRND-UHFFFAOYSA-N 1 2 303.406 1.743 50 30 DDEALO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000170663321 407472651 /nfs/dbraw/zinc/47/26/51/407472651.db2.gz GIHZSQNOHCHENY-NSHDSACASA-N 1 2 311.382 1.198 50 30 DDEALO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000170663321 407472656 /nfs/dbraw/zinc/47/26/56/407472656.db2.gz GIHZSQNOHCHENY-NSHDSACASA-N 1 2 311.382 1.198 50 30 DDEALO COc1ccc(CC(=O)ONC(=[NH2+])c2cccnc2)cc1OC ZINC000004574915 523913330 /nfs/dbraw/zinc/91/33/30/523913330.db2.gz VXEZLJGYFHWEMA-UHFFFAOYSA-N 1 2 315.329 1.505 50 30 DDEALO C[C@@H](C(=O)ONC(=[NH2+])c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000004986308 524303127 /nfs/dbraw/zinc/30/31/27/524303127.db2.gz WKPCJXIIWRLVCC-SNVBAGLBSA-N 1 2 314.301 1.957 50 30 DDEALO C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccn1)[NH+]1CCCCCC1 ZINC000123952881 354035869 /nfs/dbraw/zinc/03/58/69/354035869.db2.gz ABKPNHQZTRHZCB-ZIAGYGMSSA-N 1 2 314.389 1.993 50 30 DDEALO C=CCNC(=O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000022015693 182303889 /nfs/dbraw/zinc/30/38/89/182303889.db2.gz IPAPYYOMUFCKAU-UHFFFAOYSA-N 1 2 316.430 1.721 50 30 DDEALO CC(=O)C1=C(O)C(=O)N(CCc2c[nH+]c[nH]2)[C@@H]1c1cccs1 ZINC000004626062 406725586 /nfs/dbraw/zinc/72/55/86/406725586.db2.gz KPFIDEQPBSSMSM-CYBMUJFWSA-N 1 2 317.370 1.998 50 30 DDEALO CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c[nH+]2)[C@@H]1c1cccs1 ZINC000004626062 406725592 /nfs/dbraw/zinc/72/55/92/406725592.db2.gz KPFIDEQPBSSMSM-CYBMUJFWSA-N 1 2 317.370 1.998 50 30 DDEALO CCNC(=S)N[NH+]=C(C)c1ccc(N2CCOCC2)cc1 ZINC000254351392 407465062 /nfs/dbraw/zinc/46/50/62/407465062.db2.gz LFCKSMSVVVMCEM-UHFFFAOYSA-N 1 2 306.435 1.731 50 30 DDEALO CC(=O)NCc1cc2n(n1)CC[N@H+](Cc1cc(C#N)c(C)[nH]1)C2 ZINC000426571658 419510699 /nfs/dbraw/zinc/51/06/99/419510699.db2.gz RMLFYGHJHWMJKI-UHFFFAOYSA-N 1 2 312.377 1.043 50 30 DDEALO CC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cc(C#N)c(C)[nH]1)C2 ZINC000426571658 419510708 /nfs/dbraw/zinc/51/07/08/419510708.db2.gz RMLFYGHJHWMJKI-UHFFFAOYSA-N 1 2 312.377 1.043 50 30 DDEALO C=CCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068756993 518998084 /nfs/dbraw/zinc/99/80/84/518998084.db2.gz YVWJGNGPSXHJPP-RDJZCZTQSA-N 1 2 318.417 1.595 50 30 DDEALO C=CCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068756993 518998092 /nfs/dbraw/zinc/99/80/92/518998092.db2.gz YVWJGNGPSXHJPP-RDJZCZTQSA-N 1 2 318.417 1.595 50 30 DDEALO COc1cc(OC)cc(C(=O)ONC(=[NH2+])c2cccnc2)c1 ZINC000004171329 181081782 /nfs/dbraw/zinc/08/17/82/181081782.db2.gz NZKBLWVOIKVNBY-UHFFFAOYSA-N 1 2 301.302 1.576 50 30 DDEALO c1ccc2sc(NC3=[NH+]CN(C[C@@H]4CCCO4)CN3)nc2c1 ZINC000019324937 182116235 /nfs/dbraw/zinc/11/62/35/182116235.db2.gz KGWMFFXIVJGWDT-NSHDSACASA-N 1 2 317.418 1.873 50 30 DDEALO C[N@@H+]1CCc2c(C#N)c(N3CCCCC3)nc(NCCO)c2C1 ZINC000013763524 406867038 /nfs/dbraw/zinc/86/70/38/406867038.db2.gz UZWDPTQMFRKYDF-UHFFFAOYSA-N 1 2 315.421 1.336 50 30 DDEALO C[N@H+]1CCc2c(C#N)c(N3CCCCC3)nc(NCCO)c2C1 ZINC000013763524 406867041 /nfs/dbraw/zinc/86/70/41/406867041.db2.gz UZWDPTQMFRKYDF-UHFFFAOYSA-N 1 2 315.421 1.336 50 30 DDEALO Cc1nc(CC(N)=[NH+]OCc2ccc(C(N)=O)cc2)cs1 ZINC000054390982 407183745 /nfs/dbraw/zinc/18/37/45/407183745.db2.gz WNCXKVNYBXTUTB-UHFFFAOYSA-N 1 2 304.375 1.582 50 30 DDEALO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057292118 407214477 /nfs/dbraw/zinc/21/44/77/407214477.db2.gz LUHREZXHFCLNCE-GOSISDBHSA-N 1 2 314.433 1.863 50 30 DDEALO C=C(Br)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000049296881 418476467 /nfs/dbraw/zinc/47/64/67/418476467.db2.gz LGTKVAYXIKKLTQ-UHFFFAOYSA-N 1 2 307.151 1.906 50 30 DDEALO C=CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000328597933 418605863 /nfs/dbraw/zinc/60/58/63/418605863.db2.gz JMBONVGYGQGELP-CYBMUJFWSA-N 1 2 317.393 1.425 50 30 DDEALO C=CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000328597933 418605867 /nfs/dbraw/zinc/60/58/67/418605867.db2.gz JMBONVGYGQGELP-CYBMUJFWSA-N 1 2 317.393 1.425 50 30 DDEALO C=CCn1cc(C[NH2+][C@@H](C)c2nncn2CCCOC)c(C)n1 ZINC000055402093 519283319 /nfs/dbraw/zinc/28/33/19/519283319.db2.gz CEGKGXSNQMBJBR-AWEZNQCLSA-N 1 2 318.425 1.856 50 30 DDEALO CC(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000095403200 185355024 /nfs/dbraw/zinc/35/50/24/185355024.db2.gz FRWFGODORSEOPV-CYBMUJFWSA-N 1 2 318.396 1.732 50 30 DDEALO COc1ccc(Cn2c[nH+]cc2/C=N/N(C)C)cc1[N+](=O)[O-] ZINC000005386569 181237862 /nfs/dbraw/zinc/23/78/62/181237862.db2.gz USBPIUABJDHTKE-LZYBPNLTSA-N 1 2 303.322 1.744 50 30 DDEALO CCO[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081513569 192275971 /nfs/dbraw/zinc/27/59/71/192275971.db2.gz LIJCSLSHASHWRA-HNNXBMFYSA-N 1 2 322.430 1.833 50 30 DDEALO CCO[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081513569 192275973 /nfs/dbraw/zinc/27/59/73/192275973.db2.gz LIJCSLSHASHWRA-HNNXBMFYSA-N 1 2 322.430 1.833 50 30 DDEALO C=CC[C@]1(CO)CCCN(c2cc(N3CCCC3)[nH+]c(N)n2)C1 ZINC000091546986 193071945 /nfs/dbraw/zinc/07/19/45/193071945.db2.gz IKLYFXHYJZNXOQ-KRWDZBQOSA-N 1 2 317.437 1.814 50 30 DDEALO C=CC[C@]1(CO)CCCN(c2cc(N3CCCC3)nc(N)[nH+]2)C1 ZINC000091546986 193071946 /nfs/dbraw/zinc/07/19/46/193071946.db2.gz IKLYFXHYJZNXOQ-KRWDZBQOSA-N 1 2 317.437 1.814 50 30 DDEALO CCc1nnc(C[N@@H+]2CC[C@@H](CNc3ccc(C#N)cn3)C2)o1 ZINC000065514425 184357944 /nfs/dbraw/zinc/35/79/44/184357944.db2.gz BBEAWNORQIPGJK-ZDUSSCGKSA-N 1 2 312.377 1.833 50 30 DDEALO CCc1nnc(C[N@H+]2CC[C@@H](CNc3ccc(C#N)cn3)C2)o1 ZINC000065514425 184357945 /nfs/dbraw/zinc/35/79/45/184357945.db2.gz BBEAWNORQIPGJK-ZDUSSCGKSA-N 1 2 312.377 1.833 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000069302160 406694046 /nfs/dbraw/zinc/69/40/46/406694046.db2.gz HTDGFFQDVKLWMX-CJNGLKHVSA-N 1 2 309.410 1.268 50 30 DDEALO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000069302160 406694051 /nfs/dbraw/zinc/69/40/51/406694051.db2.gz HTDGFFQDVKLWMX-CJNGLKHVSA-N 1 2 309.410 1.268 50 30 DDEALO N#Cc1nccnc1N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069741364 406765179 /nfs/dbraw/zinc/76/51/79/406765179.db2.gz XPRMPLRTUQTPSF-UHFFFAOYSA-N 1 2 319.372 1.941 50 30 DDEALO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000026174092 406903423 /nfs/dbraw/zinc/90/34/23/406903423.db2.gz MVHLOFMQWUBHPJ-HNNXBMFYSA-N 1 2 307.419 1.462 50 30 DDEALO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000026174092 406903424 /nfs/dbraw/zinc/90/34/24/406903424.db2.gz MVHLOFMQWUBHPJ-HNNXBMFYSA-N 1 2 307.419 1.462 50 30 DDEALO C=CC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1F ZINC000056312497 518755226 /nfs/dbraw/zinc/75/52/26/518755226.db2.gz YKIPHWWEHKDZHE-UHFFFAOYSA-N 1 2 305.353 1.802 50 30 DDEALO C=CC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1F ZINC000056312497 518755233 /nfs/dbraw/zinc/75/52/33/518755233.db2.gz YKIPHWWEHKDZHE-UHFFFAOYSA-N 1 2 305.353 1.802 50 30 DDEALO N#Cc1cc(Cl)ccc1NC(=S)NCC[NH+]1CCOCC1 ZINC000020435798 182217040 /nfs/dbraw/zinc/21/70/40/182217040.db2.gz LRPOBMQMCWEBKU-UHFFFAOYSA-N 1 2 324.837 1.830 50 30 DDEALO CS[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042829435 183312661 /nfs/dbraw/zinc/31/26/61/183312661.db2.gz XBVSRXPEXCQGCX-ZDUSSCGKSA-N 1 2 303.431 1.954 50 30 DDEALO Cc1nnc([C@@H](C)[N@@H+]2CCCN(c3ncccc3C#N)CC2)o1 ZINC000065493423 184354029 /nfs/dbraw/zinc/35/40/29/184354029.db2.gz KLMRSUUFMXSQFP-GFCCVEGCSA-N 1 2 312.377 1.918 50 30 DDEALO Cc1nnc([C@@H](C)[N@H+]2CCCN(c3ncccc3C#N)CC2)o1 ZINC000065493423 184354030 /nfs/dbraw/zinc/35/40/30/184354030.db2.gz KLMRSUUFMXSQFP-GFCCVEGCSA-N 1 2 312.377 1.918 50 30 DDEALO N#CC1C(=O)NC(N2CCc3ccccc3C2)=[NH+]C12CCCC2 ZINC000009225351 406805907 /nfs/dbraw/zinc/80/59/07/406805907.db2.gz JWDVCYOQYAXGQQ-OAHLLOKOSA-N 1 2 308.385 1.983 50 30 DDEALO C=CCNc1nc(N2CCOCC2)c(C#N)c2c1C[N@H+](C)CC2 ZINC000013116103 406858228 /nfs/dbraw/zinc/85/82/28/406858228.db2.gz FBBFGAKNXBWOEG-UHFFFAOYSA-N 1 2 313.405 1.376 50 30 DDEALO C=CCNc1nc(N2CCOCC2)c(C#N)c2c1C[N@@H+](C)CC2 ZINC000013116103 406858233 /nfs/dbraw/zinc/85/82/33/406858233.db2.gz FBBFGAKNXBWOEG-UHFFFAOYSA-N 1 2 313.405 1.376 50 30 DDEALO Cc1c(C#N)c(=O)[nH]cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077321554 406984599 /nfs/dbraw/zinc/98/45/99/406984599.db2.gz DYJHDUASUUYKQP-NSHDSACASA-N 1 2 311.345 1.710 50 30 DDEALO CCN1C(=O)C[C@H]([NH+]2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000102374724 407322302 /nfs/dbraw/zinc/32/23/02/407322302.db2.gz FRRLXQBAMVZZAP-HNNXBMFYSA-N 1 2 311.385 1.691 50 30 DDEALO CN(C)c1ncnc2c1C[N@H+](CCOc1cccc(C#N)c1)CC2 ZINC000097201963 407287812 /nfs/dbraw/zinc/28/78/12/407287812.db2.gz PGPIINPYFILLNQ-UHFFFAOYSA-N 1 2 323.400 1.851 50 30 DDEALO CN(C)c1ncnc2c1C[N@@H+](CCOc1cccc(C#N)c1)CC2 ZINC000097201963 407287813 /nfs/dbraw/zinc/28/78/13/407287813.db2.gz PGPIINPYFILLNQ-UHFFFAOYSA-N 1 2 323.400 1.851 50 30 DDEALO Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000229830093 407671855 /nfs/dbraw/zinc/67/18/55/407671855.db2.gz GVOKZNKGZQWHCX-ZIAGYGMSSA-N 1 2 302.382 1.328 50 30 DDEALO Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000229830093 407671864 /nfs/dbraw/zinc/67/18/64/407671864.db2.gz GVOKZNKGZQWHCX-ZIAGYGMSSA-N 1 2 302.382 1.328 50 30 DDEALO CC#CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000241157230 407911007 /nfs/dbraw/zinc/91/10/07/407911007.db2.gz JVXQOSUNPWMVJO-OAHLLOKOSA-N 1 2 316.405 1.157 50 30 DDEALO CC#CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000241157230 407911011 /nfs/dbraw/zinc/91/10/11/407911011.db2.gz JVXQOSUNPWMVJO-OAHLLOKOSA-N 1 2 316.405 1.157 50 30 DDEALO C[C@@H](C#N)C[NH2+]Cc1c(CNC(=O)OC(C)(C)C)cnn1C ZINC000952995654 721534886 /nfs/dbraw/zinc/53/48/86/721534886.db2.gz TUZOYXMWKPDUAD-NSHDSACASA-N 1 2 307.398 1.694 50 30 DDEALO Cc1cc(C)n(C2C[NH+](Cc3cc(C#CCO)cs3)C2)n1 ZINC000828644591 759731592 /nfs/dbraw/zinc/73/15/92/759731592.db2.gz HXPFTNSIPARUHA-UHFFFAOYSA-N 1 2 301.415 1.962 50 30 DDEALO CC(=O)c1c(C=CN(C)C)nc2nonc2c1[NH+]=CN(C)C ZINC000004580117 181126959 /nfs/dbraw/zinc/12/69/59/181126959.db2.gz JBIZXFHPZRLQLX-RRLYPUMESA-N 1 2 302.338 1.574 50 30 DDEALO C#CC[N@H+](Cc1ccco1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000071896993 406863456 /nfs/dbraw/zinc/86/34/56/406863456.db2.gz XULCYLOACYUMCW-GFCCVEGCSA-N 1 2 300.280 1.878 50 30 DDEALO C#CC[N@@H+](Cc1ccco1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000071896993 406863461 /nfs/dbraw/zinc/86/34/61/406863461.db2.gz XULCYLOACYUMCW-GFCCVEGCSA-N 1 2 300.280 1.878 50 30 DDEALO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)o1 ZINC000071897203 406864276 /nfs/dbraw/zinc/86/42/76/406864276.db2.gz NFFRBGOPOWGZHY-AWEZNQCLSA-N 1 2 305.378 1.732 50 30 DDEALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2cc(C#N)ccn2)CC1 ZINC000071918580 406867823 /nfs/dbraw/zinc/86/78/23/406867823.db2.gz JUARSRHNXACPQA-GFCCVEGCSA-N 1 2 304.419 1.598 50 30 DDEALO C=CCn1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(C)n1 ZINC000097244080 407289477 /nfs/dbraw/zinc/28/94/77/407289477.db2.gz ZFWJPYYLIFLDTE-CQSZACIVSA-N 1 2 311.451 1.634 50 30 DDEALO C=CCn1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(C)n1 ZINC000097244080 407289480 /nfs/dbraw/zinc/28/94/80/407289480.db2.gz ZFWJPYYLIFLDTE-CQSZACIVSA-N 1 2 311.451 1.634 50 30 DDEALO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000195574217 407468655 /nfs/dbraw/zinc/46/86/55/407468655.db2.gz DPQIGTVKLJUUGC-INIZCTEOSA-N 1 2 322.368 1.494 50 30 DDEALO C=CCNC(=O)CC[N@@H+]1CCN(c2ccccc2)C(=O)[C@@H]1C ZINC000244708289 407931240 /nfs/dbraw/zinc/93/12/40/407931240.db2.gz KRBSGFNDYNLRQJ-AWEZNQCLSA-N 1 2 301.390 1.416 50 30 DDEALO C=CCNC(=O)CC[N@H+]1CCN(c2ccccc2)C(=O)[C@@H]1C ZINC000244708289 407931245 /nfs/dbraw/zinc/93/12/45/407931245.db2.gz KRBSGFNDYNLRQJ-AWEZNQCLSA-N 1 2 301.390 1.416 50 30 DDEALO N#Cc1ccc(C(=O)NC[C@@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000244691906 407932566 /nfs/dbraw/zinc/93/25/66/407932566.db2.gz JLARXTMZTIDLDN-AWEZNQCLSA-N 1 2 321.384 1.995 50 30 DDEALO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@]2(CCCOC2)O1 ZINC000328588324 484419075 /nfs/dbraw/zinc/41/90/75/484419075.db2.gz BWKGKZLZQQMWHL-HIFRSBDPSA-N 1 2 308.382 1.067 50 30 DDEALO C[C@@H]1CN(C([O-])=[NH+]CCn2cc[nH+]c2)C[C@]2(CCCOC2)O1 ZINC000328588324 484419080 /nfs/dbraw/zinc/41/90/80/484419080.db2.gz BWKGKZLZQQMWHL-HIFRSBDPSA-N 1 2 308.382 1.067 50 30 DDEALO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@@]2(CCCOC2)O1 ZINC000328588325 484419182 /nfs/dbraw/zinc/41/91/82/484419182.db2.gz BWKGKZLZQQMWHL-UKRRQHHQSA-N 1 2 308.382 1.067 50 30 DDEALO C[C@@H]1CN(C([O-])=[NH+]CCn2cc[nH+]c2)C[C@@]2(CCCOC2)O1 ZINC000328588325 484419187 /nfs/dbraw/zinc/41/91/87/484419187.db2.gz BWKGKZLZQQMWHL-UKRRQHHQSA-N 1 2 308.382 1.067 50 30 DDEALO