smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000442669389 335002525 /nfs/dbraw/zinc/00/25/25/335002525.db2.gz AYRMPEHNJQYXEC-WMZOPIPTSA-N 1 1 322.477 4.733 20 30 DJEDMO CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)c1cccc(C#N)c1 ZINC000442674523 335011782 /nfs/dbraw/zinc/01/17/82/335011782.db2.gz CSENBLRNQXCJIC-GFCCVEGCSA-N 1 1 304.846 4.856 20 30 DJEDMO C=CCC[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccco1 ZINC000287526779 335044528 /nfs/dbraw/zinc/04/45/28/335044528.db2.gz OTMOBRJAXXNDCI-JKSUJKDBSA-N 1 1 301.361 4.539 20 30 DJEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)cc1 ZINC000409447323 332031795 /nfs/dbraw/zinc/03/17/95/332031795.db2.gz DKDORQBCDBRVNY-SFHVURJKSA-N 1 1 300.446 4.552 20 30 DJEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCCCC(C)(C)C#N)CCC2 ZINC000409447359 332031995 /nfs/dbraw/zinc/03/19/95/332031995.db2.gz VAQXJBBTPJJYTD-OAHLLOKOSA-N 1 1 319.518 4.735 20 30 DJEDMO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665688 332092372 /nfs/dbraw/zinc/09/23/72/332092372.db2.gz UROXCASRTJTNIY-QFBILLFUSA-N 1 1 308.425 4.699 20 30 DJEDMO COc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(F)c1 ZINC000090665879 332092400 /nfs/dbraw/zinc/09/24/00/332092400.db2.gz MPLCLFJLLNLKDG-LIRRHRJNSA-N 1 1 312.388 4.530 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 ZINC000410321203 332111924 /nfs/dbraw/zinc/11/19/24/332111924.db2.gz YZPMYMNIRRCEGL-UHFFFAOYSA-N 1 1 315.420 4.519 20 30 DJEDMO CCOc1ccc(C2=CC[N@@H+](CCCC(C)(C)C#N)CC2)cc1 ZINC000091813572 332112619 /nfs/dbraw/zinc/11/26/19/332112619.db2.gz KLGGTQNMLGYZSQ-UHFFFAOYSA-N 1 1 312.457 4.504 20 30 DJEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2CC2CCCCC2)CCOCC1 ZINC000410342112 332113174 /nfs/dbraw/zinc/11/31/74/332113174.db2.gz ZVLCQQJGDUVAQF-LJQANCHMSA-N 1 1 318.505 4.522 20 30 DJEDMO N#CC1(CCC[N@H+]2CCC[C@H]2CCC2CCCC2)CCOCC1 ZINC000410412466 332124766 /nfs/dbraw/zinc/12/47/66/332124766.db2.gz BVCMQTRSRWNXHL-IBGZPJMESA-N 1 1 318.505 4.522 20 30 DJEDMO C=C(C)C[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000181302410 332189765 /nfs/dbraw/zinc/18/97/65/332189765.db2.gz FFXKSXVNUUSRES-UHFFFAOYSA-N 1 1 322.408 4.511 20 30 DJEDMO CC(C)(C#N)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000536472923 332250202 /nfs/dbraw/zinc/25/02/02/332250202.db2.gz VBUPMQPFNBXLAM-UHFFFAOYSA-N 1 1 310.363 4.610 20 30 DJEDMO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(C#N)cc1Cl ZINC000559457330 332260895 /nfs/dbraw/zinc/26/08/95/332260895.db2.gz DYVXXUPFWBZOCG-LBPRGKRZSA-N 1 1 310.784 4.809 20 30 DJEDMO N#CCC[C@@H]([NH2+]Cc1cc(Cl)ccc1F)c1ccccc1 ZINC000119847770 332311577 /nfs/dbraw/zinc/31/15/77/332311577.db2.gz OQNGAQSRPUIRDW-QGZVFWFLSA-N 1 1 302.780 4.614 20 30 DJEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCC(C)(C)C#N ZINC000174811272 333090895 /nfs/dbraw/zinc/09/08/95/333090895.db2.gz RDYZFYYQTIPIEX-ZDUSSCGKSA-N 1 1 301.459 4.619 20 30 DJEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccccc1C(C)(C)C#N ZINC000487377997 333131019 /nfs/dbraw/zinc/13/10/19/333131019.db2.gz NKOAFUWAZRHUHP-UHFFFAOYSA-N 1 1 310.416 4.649 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(Cl)c1Cl ZINC000183754362 333187413 /nfs/dbraw/zinc/18/74/13/333187413.db2.gz PLGMUWOBVFEMNN-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO CC[N@@H+](Cc1cccc(OC(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497599901 333267781 /nfs/dbraw/zinc/26/77/81/333267781.db2.gz NHSDXFLYUPBOJP-QGZVFWFLSA-N 1 1 322.452 4.929 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccc(F)c(F)c1 ZINC000186451937 335158111 /nfs/dbraw/zinc/15/81/11/335158111.db2.gz NSEHNJCQGMIMDD-FZKQIMNGSA-N 1 1 319.399 4.710 20 30 DJEDMO N#CCC[C@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000271477727 334023556 /nfs/dbraw/zinc/02/35/56/334023556.db2.gz IGULEXKBQDKBKV-ROUUACIJSA-N 1 1 312.363 4.587 20 30 DJEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1C ZINC000303958509 334352312 /nfs/dbraw/zinc/35/23/12/334352312.db2.gz YKTUURXHVPMPDX-HXUWFJFHSA-N 1 1 308.400 4.651 20 30 DJEDMO Cc1ccc2oc(C[N@H+](CCCC#N)Cc3ccco3)cc2c1 ZINC000352233230 336205038 /nfs/dbraw/zinc/20/50/38/336205038.db2.gz BBICWKWSUJNTOX-UHFFFAOYSA-N 1 1 308.381 4.640 20 30 DJEDMO Cc1ccc2oc(C[N@@H+](CCCC#N)Cc3ccco3)cc2c1 ZINC000352233230 336205039 /nfs/dbraw/zinc/20/50/39/336205039.db2.gz BBICWKWSUJNTOX-UHFFFAOYSA-N 1 1 308.381 4.640 20 30 DJEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000532623517 336257713 /nfs/dbraw/zinc/25/77/13/336257713.db2.gz IKHZNJRDQWSQER-UXHICEINSA-N 1 1 316.404 4.705 20 30 DJEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000532623517 336257714 /nfs/dbraw/zinc/25/77/14/336257714.db2.gz IKHZNJRDQWSQER-UXHICEINSA-N 1 1 316.404 4.705 20 30 DJEDMO C[C@H]([NH2+]Cc1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367827982 336830251 /nfs/dbraw/zinc/83/02/51/336830251.db2.gz SBLPWIRQMXAEDY-AWEZNQCLSA-N 1 1 319.433 4.533 20 30 DJEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)sc1Cl)CC2 ZINC000572387973 337626394 /nfs/dbraw/zinc/62/63/94/337626394.db2.gz DLMXYFQMUQLQRI-CYBMUJFWSA-N 1 1 323.248 4.704 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000107321665 337828537 /nfs/dbraw/zinc/82/85/37/337828537.db2.gz HKIRZGQMRQANRS-AWEZNQCLSA-N 1 1 319.433 4.533 20 30 DJEDMO C=CCOc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000061556157 337945152 /nfs/dbraw/zinc/94/51/52/337945152.db2.gz NGHOGVRTYSWYQE-NRFANRHFSA-N 1 1 319.404 4.724 20 30 DJEDMO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(Cl)c1 ZINC000428294075 338046052 /nfs/dbraw/zinc/04/60/52/338046052.db2.gz KRXAMMKJGSQYOL-KRWDZBQOSA-N 1 1 302.780 4.592 20 30 DJEDMO N#C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000429021108 338069094 /nfs/dbraw/zinc/06/90/94/338069094.db2.gz PAVLNUCUABZGEQ-UXPWSPDFSA-N 1 1 322.839 4.566 20 30 DJEDMO N#C[C@@H]1C[N@H+]([C@H]2CCc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000429021108 338069095 /nfs/dbraw/zinc/06/90/95/338069095.db2.gz PAVLNUCUABZGEQ-UXPWSPDFSA-N 1 1 322.839 4.566 20 30 DJEDMO Cc1cccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1C ZINC000430104183 338096914 /nfs/dbraw/zinc/09/69/14/338096914.db2.gz RFNOIZRGQODRAZ-UHFFFAOYSA-N 1 1 322.452 4.618 20 30 DJEDMO C[C@@H]([NH2+]Cc1csc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000432242414 338150198 /nfs/dbraw/zinc/15/01/98/338150198.db2.gz ZUMMDOBNKZUNOA-SECBINFHSA-N 1 1 311.237 4.777 20 30 DJEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439425552 338368950 /nfs/dbraw/zinc/36/89/50/338368950.db2.gz URCPMRQSXVBGHZ-LLVKDONJSA-N 1 1 320.770 4.683 20 30 DJEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439425552 338368951 /nfs/dbraw/zinc/36/89/51/338368951.db2.gz URCPMRQSXVBGHZ-LLVKDONJSA-N 1 1 320.770 4.683 20 30 DJEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cc(F)ccc1F ZINC000439432656 338369244 /nfs/dbraw/zinc/36/92/44/338369244.db2.gz UVEPCBZNGNOMOW-QGZVFWFLSA-N 1 1 320.770 4.731 20 30 DJEDMO CC[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000447544542 338555950 /nfs/dbraw/zinc/55/59/50/338555950.db2.gz VZLZTHYCWCRJRH-QGZVFWFLSA-N 1 1 302.780 4.592 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccc(F)c(F)c1 ZINC000194962957 338785598 /nfs/dbraw/zinc/78/55/98/338785598.db2.gz RHGPESJYAQSCJB-KPZWWZAWSA-N 1 1 303.352 4.638 20 30 DJEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000463301119 339114152 /nfs/dbraw/zinc/11/41/52/339114152.db2.gz OEWZMTDOZQZNOG-BZSNNMDCSA-N 1 1 311.473 4.868 20 30 DJEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000463301119 339114153 /nfs/dbraw/zinc/11/41/53/339114153.db2.gz OEWZMTDOZQZNOG-BZSNNMDCSA-N 1 1 311.473 4.868 20 30 DJEDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000464787078 339153641 /nfs/dbraw/zinc/15/36/41/339153641.db2.gz WQNYNRYAUDFUGZ-IBGZPJMESA-N 1 1 322.477 4.553 20 30 DJEDMO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCCSCC#N ZINC000466744133 339215368 /nfs/dbraw/zinc/21/53/68/339215368.db2.gz CIDQFMMYLGMADA-KRWDZBQOSA-N 1 1 324.493 4.993 20 30 DJEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000469995951 339307490 /nfs/dbraw/zinc/30/74/90/339307490.db2.gz HHKLPUXDNSHIJF-HNNXBMFYSA-N 1 1 324.390 4.651 20 30 DJEDMO C=C(C)C[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccccc1 ZINC000470910479 339330974 /nfs/dbraw/zinc/33/09/74/339330974.db2.gz ZTUKWIGBNWCCKZ-UHFFFAOYSA-N 1 1 310.372 4.545 20 30 DJEDMO C=C(C)C[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1ccccc1 ZINC000470910479 339330975 /nfs/dbraw/zinc/33/09/75/339330975.db2.gz ZTUKWIGBNWCCKZ-UHFFFAOYSA-N 1 1 310.372 4.545 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000472241484 339367234 /nfs/dbraw/zinc/36/72/34/339367234.db2.gz QGRQJNKSTJKACY-UHFFFAOYSA-N 1 1 315.848 4.509 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000472241484 339367235 /nfs/dbraw/zinc/36/72/35/339367235.db2.gz QGRQJNKSTJKACY-UHFFFAOYSA-N 1 1 315.848 4.509 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000472434660 339371683 /nfs/dbraw/zinc/37/16/83/339371683.db2.gz WIUYFDMEOMIDEN-MRXNPFEDSA-N 1 1 304.865 4.677 20 30 DJEDMO CC(C)([NH2+]Cc1cccc(C#N)c1F)c1cccc(Cl)c1F ZINC000473450461 339385629 /nfs/dbraw/zinc/38/56/29/339385629.db2.gz BEKBKXIFKHWDGT-UHFFFAOYSA-N 1 1 320.770 4.515 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000479416656 339534061 /nfs/dbraw/zinc/53/40/61/339534061.db2.gz ZEGHJCUDHCGTNH-QGZVFWFLSA-N 1 1 309.306 4.650 20 30 DJEDMO Cc1cc(NCC(C)(C)CCC#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000503889993 340135868 /nfs/dbraw/zinc/13/58/68/340135868.db2.gz FPHBXMVCANFTJJ-INIZCTEOSA-N 1 1 314.477 4.511 20 30 DJEDMO C=CCOc1ccc(C[N@@H+](Cc2cscn2)C(C)(C)C)cc1 ZINC000506045990 340184216 /nfs/dbraw/zinc/18/42/16/340184216.db2.gz OSZMTXBBOZVADK-UHFFFAOYSA-N 1 1 316.470 4.509 20 30 DJEDMO C=CCOc1ccc(C[N@H+](Cc2cscn2)C(C)(C)C)cc1 ZINC000506045990 340184217 /nfs/dbraw/zinc/18/42/17/340184217.db2.gz OSZMTXBBOZVADK-UHFFFAOYSA-N 1 1 316.470 4.509 20 30 DJEDMO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000506565076 340196844 /nfs/dbraw/zinc/19/68/44/340196844.db2.gz WXDWUFSLOCIDOQ-YVEFUNNKSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000506565076 340196845 /nfs/dbraw/zinc/19/68/45/340196845.db2.gz WXDWUFSLOCIDOQ-YVEFUNNKSA-N 1 1 312.438 4.501 20 30 DJEDMO CC[N@@H+](Cc1cccc(Br)c1)CC(C)(C)CCC#N ZINC000507188796 340211961 /nfs/dbraw/zinc/21/19/61/340211961.db2.gz RQFMNKXXJAPJLO-UHFFFAOYSA-N 1 1 323.278 4.601 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000507194903 340212501 /nfs/dbraw/zinc/21/25/01/340212501.db2.gz SBUHPTCAJACLHG-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000507194903 340212502 /nfs/dbraw/zinc/21/25/02/340212502.db2.gz SBUHPTCAJACLHG-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO CC[N@H+](Cc1cccc(O)c1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000507331978 340217470 /nfs/dbraw/zinc/21/74/70/340217470.db2.gz GXBZFEYHVWEISV-CYBMUJFWSA-N 1 1 314.816 4.500 20 30 DJEDMO CC[N@@H+](Cc1cccc(O)c1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000507331978 340217471 /nfs/dbraw/zinc/21/74/71/340217471.db2.gz GXBZFEYHVWEISV-CYBMUJFWSA-N 1 1 314.816 4.500 20 30 DJEDMO CCC[N@@H+](Cc1cnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000508603251 340247700 /nfs/dbraw/zinc/24/77/00/340247700.db2.gz IJAOMRMHLATRQR-UHFFFAOYSA-N 1 1 313.470 4.550 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)c1ccccc1OC ZINC000508625823 340248619 /nfs/dbraw/zinc/24/86/19/340248619.db2.gz ROGIJAAEZYZLDH-AWEZNQCLSA-N 1 1 314.454 4.602 20 30 DJEDMO CC[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)C[C@H](C)C#N ZINC000509831833 340280955 /nfs/dbraw/zinc/28/09/55/340280955.db2.gz JPVFXMFPCIYFNI-CYBMUJFWSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(F)c(-c2cccs2)c1)C[C@H](C)C#N ZINC000509831833 340280956 /nfs/dbraw/zinc/28/09/56/340280956.db2.gz JPVFXMFPCIYFNI-CYBMUJFWSA-N 1 1 302.418 4.536 20 30 DJEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000510258550 340294334 /nfs/dbraw/zinc/29/43/34/340294334.db2.gz ZQNDRJAHKIUZQO-FUHWJXTLSA-N 1 1 314.473 4.798 20 30 DJEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511095024 340320568 /nfs/dbraw/zinc/32/05/68/340320568.db2.gz ZJQVTKRONZGGRS-OAHLLOKOSA-N 1 1 324.390 4.825 20 30 DJEDMO CC[N@@H+](CCSc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000303538389 340331620 /nfs/dbraw/zinc/33/16/20/340331620.db2.gz JAQBWQQNPGRKJV-MRXNPFEDSA-N 1 1 310.466 4.733 20 30 DJEDMO N#CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511842189 340339984 /nfs/dbraw/zinc/33/99/84/340339984.db2.gz GEIAUVWGQZFKDU-YPAWHYETSA-N 1 1 316.448 4.521 20 30 DJEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511895670 340342165 /nfs/dbraw/zinc/34/21/65/340342165.db2.gz YEFVTTLVGDDJBY-ZCNNSNEGSA-N 1 1 310.485 4.975 20 30 DJEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccc(Cl)c1 ZINC000512162487 340350402 /nfs/dbraw/zinc/35/04/02/340350402.db2.gz CHHZNGJGVASQKP-AWEZNQCLSA-N 1 1 319.832 4.565 20 30 DJEDMO C=C(C)C[N@H+](CCCCC(F)(F)F)Cc1cnn(C(C)C)c1 ZINC000512547311 340366296 /nfs/dbraw/zinc/36/62/96/340366296.db2.gz LTBGKIUATUWXPR-UHFFFAOYSA-N 1 1 317.399 4.575 20 30 DJEDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641087 340370529 /nfs/dbraw/zinc/37/05/29/340370529.db2.gz DDBKVPJCWSNMJX-BBATYDOGSA-N 1 1 318.342 4.777 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)o1 ZINC000512672918 340372508 /nfs/dbraw/zinc/37/25/08/340372508.db2.gz LPRCFCRTBBUQOW-UHFFFAOYSA-N 1 1 314.388 4.594 20 30 DJEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404053875 340375645 /nfs/dbraw/zinc/37/56/45/340375645.db2.gz GDTQAJGBCJUZIP-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404082523 340377550 /nfs/dbraw/zinc/37/75/50/340377550.db2.gz PZBPPFDKUAEMPI-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404082523 340377551 /nfs/dbraw/zinc/37/75/51/340377551.db2.gz PZBPPFDKUAEMPI-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000513112145 340393860 /nfs/dbraw/zinc/39/38/60/340393860.db2.gz UEMUJGMNPISHQU-UHFFFAOYSA-N 1 1 311.256 4.681 20 30 DJEDMO CC(C)(CCC#N)C[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000513112145 340393861 /nfs/dbraw/zinc/39/38/61/340393861.db2.gz UEMUJGMNPISHQU-UHFFFAOYSA-N 1 1 311.256 4.681 20 30 DJEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)c(C)s1 ZINC000187414334 340519810 /nfs/dbraw/zinc/51/98/10/340519810.db2.gz WJOSNSRVVPTSFF-NSHDSACASA-N 1 1 304.846 4.741 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(Cl)c1Cl ZINC000538215880 340813762 /nfs/dbraw/zinc/81/37/62/340813762.db2.gz PLOPMYXXRMIEIO-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO N#CCC[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1 ZINC000130509110 341025307 /nfs/dbraw/zinc/02/53/07/341025307.db2.gz MCQFRQPDLXUYIJ-QGZVFWFLSA-N 1 1 311.454 4.545 20 30 DJEDMO N#CCSCCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000074989094 341159045 /nfs/dbraw/zinc/15/90/45/341159045.db2.gz VAOFPRYWVFDTQS-LJQANCHMSA-N 1 1 310.466 4.624 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000548947031 341281971 /nfs/dbraw/zinc/28/19/71/341281971.db2.gz VTEHSLWKWPBLAD-KRWDZBQOSA-N 1 1 308.828 4.540 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000548947031 341281972 /nfs/dbraw/zinc/28/19/72/341281972.db2.gz VTEHSLWKWPBLAD-KRWDZBQOSA-N 1 1 308.828 4.540 20 30 DJEDMO Cc1cccc(C([NH2+]Cc2ccc(C#N)o2)c2cccc(C)c2)c1 ZINC000084052622 341357100 /nfs/dbraw/zinc/35/71/00/341357100.db2.gz OFWQPCCJJQDINQ-UHFFFAOYSA-N 1 1 316.404 4.647 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccco1 ZINC000552068385 341367142 /nfs/dbraw/zinc/36/71/42/341367142.db2.gz UXRACRDUHUWUDK-INIZCTEOSA-N 1 1 317.816 4.665 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1ccc(Cl)cc1OC)c1ccco1 ZINC000552268498 341382416 /nfs/dbraw/zinc/38/24/16/341382416.db2.gz LQLVVLIREUKQSG-OAHLLOKOSA-N 1 1 305.805 4.739 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccco1 ZINC000552275338 341383119 /nfs/dbraw/zinc/38/31/19/341383119.db2.gz SBCQRVGKKGMMAP-MRXNPFEDSA-N 1 1 314.429 4.649 20 30 DJEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000180143766 526676949 /nfs/dbraw/zinc/67/69/49/526676949.db2.gz QWGUJGNAHAQZDE-GFCCVEGCSA-N 1 1 319.499 4.701 20 30 DJEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180143766 526676952 /nfs/dbraw/zinc/67/69/52/526676952.db2.gz QWGUJGNAHAQZDE-GFCCVEGCSA-N 1 1 319.499 4.701 20 30 DJEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)CCC2 ZINC000409447358 332031915 /nfs/dbraw/zinc/03/19/15/332031915.db2.gz VAQXJBBTPJJYTD-HNNXBMFYSA-N 1 1 319.518 4.735 20 30 DJEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000569400510 332077003 /nfs/dbraw/zinc/07/70/03/332077003.db2.gz KSMRKBJMUDHOKM-CQSZACIVSA-N 1 1 316.351 4.539 20 30 DJEDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117539 332083017 /nfs/dbraw/zinc/08/30/17/332083017.db2.gz PJHHZCDRBVJTRW-CYBMUJFWSA-N 1 1 308.356 4.603 20 30 DJEDMO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000569553513 332137010 /nfs/dbraw/zinc/13/70/10/332137010.db2.gz WXIPZPHEEDIDSS-SJCJKPOMSA-N 1 1 300.352 4.638 20 30 DJEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000181254226 332188395 /nfs/dbraw/zinc/18/83/95/332188395.db2.gz VZABEHDSKARJCV-ZDUSSCGKSA-N 1 1 304.821 4.872 20 30 DJEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000181254226 332188396 /nfs/dbraw/zinc/18/83/96/332188396.db2.gz VZABEHDSKARJCV-ZDUSSCGKSA-N 1 1 304.821 4.872 20 30 DJEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000112540517 332314303 /nfs/dbraw/zinc/31/43/03/332314303.db2.gz MXMDMKTYIGCGGC-SJORKVTESA-N 1 1 319.408 4.573 20 30 DJEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCCCC#N ZINC000119405613 332371224 /nfs/dbraw/zinc/37/12/24/332371224.db2.gz SGHROUCHIKDQOU-HNNXBMFYSA-N 1 1 313.470 4.805 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000174811085 333090906 /nfs/dbraw/zinc/09/09/06/333090906.db2.gz HYCZSJFONLNOJA-UHFFFAOYSA-N 1 1 302.443 4.673 20 30 DJEDMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185727643 333212826 /nfs/dbraw/zinc/21/28/26/333212826.db2.gz UIYCYZVCYARHMU-WMZOPIPTSA-N 1 1 322.456 4.549 20 30 DJEDMO CC[N@H+](Cc1nc2ccccc2s1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593924 333267354 /nfs/dbraw/zinc/26/73/54/333267354.db2.gz MSJDJAYLDSEZRQ-CQSZACIVSA-N 1 1 321.449 4.751 20 30 DJEDMO CC[N@@H+](Cc1nc2ccccc2s1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593924 333267355 /nfs/dbraw/zinc/26/73/55/333267355.db2.gz MSJDJAYLDSEZRQ-CQSZACIVSA-N 1 1 321.449 4.751 20 30 DJEDMO CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497621110 333270732 /nfs/dbraw/zinc/27/07/32/333270732.db2.gz SDEHIFHHPUJGAQ-MBOZVWFJSA-N 1 1 314.473 4.536 20 30 DJEDMO CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000514089437 333297498 /nfs/dbraw/zinc/29/74/98/333297498.db2.gz QBQRJFNMTYHUDU-UHFFFAOYSA-N 1 1 300.405 4.734 20 30 DJEDMO Fc1ccc([C@@H]([NH2+]CC#Cc2ccccc2)c2cccs2)cc1 ZINC000571227339 333685806 /nfs/dbraw/zinc/68/58/06/333685806.db2.gz GYHDEOZXQGLLLF-HXUWFJFHSA-N 1 1 321.420 4.618 20 30 DJEDMO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cc1O ZINC000286026569 334150847 /nfs/dbraw/zinc/15/08/47/334150847.db2.gz JADBWNNUJISOLC-ZWKOTPCHSA-N 1 1 312.388 4.617 20 30 DJEDMO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1O ZINC000286026555 334150918 /nfs/dbraw/zinc/15/09/18/334150918.db2.gz JADBWNNUJISOLC-MSOLQXFVSA-N 1 1 312.388 4.617 20 30 DJEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511822 334198548 /nfs/dbraw/zinc/19/85/48/334198548.db2.gz IBHIDYVDYHJYBK-FRFSOERESA-N 1 1 322.374 4.577 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(C#N)cc1F ZINC000425954717 334820494 /nfs/dbraw/zinc/82/04/94/334820494.db2.gz WTOUYVCUEIPCMV-GFCCVEGCSA-N 1 1 312.363 4.565 20 30 DJEDMO N#CCC[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1ccccc1 ZINC000344827746 335278633 /nfs/dbraw/zinc/27/86/33/335278633.db2.gz ANLNERWSXGHLOT-MRXNPFEDSA-N 1 1 302.780 4.614 20 30 DJEDMO CC(C)C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000352807779 336243199 /nfs/dbraw/zinc/24/31/99/336243199.db2.gz AEOWHQKQTCOXKW-HNNXBMFYSA-N 1 1 319.861 4.545 20 30 DJEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000532623505 336257684 /nfs/dbraw/zinc/25/76/84/336257684.db2.gz IKHZNJRDQWSQER-PMACEKPBSA-N 1 1 316.404 4.705 20 30 DJEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000532623505 336257685 /nfs/dbraw/zinc/25/76/85/336257685.db2.gz IKHZNJRDQWSQER-PMACEKPBSA-N 1 1 316.404 4.705 20 30 DJEDMO C=CCC[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000514105918 336357854 /nfs/dbraw/zinc/35/78/54/336357854.db2.gz UNGZPNUFQJYCPG-FQEVSTJZSA-N 1 1 324.468 4.541 20 30 DJEDMO CC(C)c1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000353912165 336447483 /nfs/dbraw/zinc/44/74/83/336447483.db2.gz DRJBAEZEFINZPF-QGZVFWFLSA-N 1 1 313.470 4.791 20 30 DJEDMO C=CCC[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccco1 ZINC000375897652 337022646 /nfs/dbraw/zinc/02/26/46/337022646.db2.gz KCUFVAGSSGZJCB-CVEARBPZSA-N 1 1 301.361 4.539 20 30 DJEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000582632724 337116436 /nfs/dbraw/zinc/11/64/36/337116436.db2.gz CRSUFVRZEOPEFP-LEWJYISDSA-N 1 1 323.484 4.646 20 30 DJEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000582871894 337209414 /nfs/dbraw/zinc/20/94/14/337209414.db2.gz NVADQUFBNKTNJQ-CZAWJFPGSA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000582871894 337209415 /nfs/dbraw/zinc/20/94/15/337209415.db2.gz NVADQUFBNKTNJQ-CZAWJFPGSA-N 1 1 322.374 4.733 20 30 DJEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000428298298 338046220 /nfs/dbraw/zinc/04/62/20/338046220.db2.gz BUTMADVHOYAVOV-GOSISDBHSA-N 1 1 314.791 4.592 20 30 DJEDMO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428477301 338054471 /nfs/dbraw/zinc/05/44/71/338054471.db2.gz ZAPUBEXGSLYNCW-GOSISDBHSA-N 1 1 316.807 4.838 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)c2ccccc21 ZINC000428969709 338067158 /nfs/dbraw/zinc/06/71/58/338067158.db2.gz RSCAXVIMDDJDFN-ZDUSSCGKSA-N 1 1 322.358 4.840 20 30 DJEDMO C[C@@]1(c2ccccc2)CC[C@H]([N@H+](CCC#N)Cc2ccco2)C1 ZINC000437595513 338315721 /nfs/dbraw/zinc/31/57/21/338315721.db2.gz YYGYXGJVIYKVHC-AZUAARDMSA-N 1 1 308.425 4.506 20 30 DJEDMO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+](CCC#N)Cc2ccco2)C1 ZINC000437595513 338315722 /nfs/dbraw/zinc/31/57/22/338315722.db2.gz YYGYXGJVIYKVHC-AZUAARDMSA-N 1 1 308.425 4.506 20 30 DJEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1F ZINC000439432742 338369295 /nfs/dbraw/zinc/36/92/95/338369295.db2.gz VLROEABTCDPAQH-KRWDZBQOSA-N 1 1 320.770 4.731 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccc(F)c(F)c1 ZINC000194962999 338785621 /nfs/dbraw/zinc/78/56/21/338785621.db2.gz RHGPESJYAQSCJB-XIKOKIGWSA-N 1 1 303.352 4.638 20 30 DJEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000461394224 339062812 /nfs/dbraw/zinc/06/28/12/339062812.db2.gz HTVDVQZKRLDHHQ-UHFFFAOYSA-N 1 1 314.379 4.906 20 30 DJEDMO C=CC[N@H+](Cc1ccc(C(F)F)cc1)Cc1cccc(C#N)c1 ZINC000461397754 339063161 /nfs/dbraw/zinc/06/31/61/339063161.db2.gz HUYQCOARMKNJTR-UHFFFAOYSA-N 1 1 312.363 4.684 20 30 DJEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000464839189 339156376 /nfs/dbraw/zinc/15/63/76/339156376.db2.gz PDOXXODOVQAVAA-UGSOOPFHSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000464839189 339156377 /nfs/dbraw/zinc/15/63/77/339156377.db2.gz PDOXXODOVQAVAA-UGSOOPFHSA-N 1 1 312.388 4.572 20 30 DJEDMO C=CCC[N@H+](C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000467298317 339230260 /nfs/dbraw/zinc/23/02/60/339230260.db2.gz MZQMYZNTMPLZRQ-CYBMUJFWSA-N 1 1 304.821 4.872 20 30 DJEDMO CC[N@H+](CCC#N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470170198 339312544 /nfs/dbraw/zinc/31/25/44/339312544.db2.gz QFVHNRYYEKOIAD-MRXNPFEDSA-N 1 1 308.425 4.659 20 30 DJEDMO CC[N@@H+](CCC#N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470170198 339312545 /nfs/dbraw/zinc/31/25/45/339312545.db2.gz QFVHNRYYEKOIAD-MRXNPFEDSA-N 1 1 308.425 4.659 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000471717182 339352145 /nfs/dbraw/zinc/35/21/45/339352145.db2.gz YGULVZCKPJSNHL-NRFANRHFSA-N 1 1 318.464 4.964 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000472231418 339366726 /nfs/dbraw/zinc/36/67/26/339366726.db2.gz JKAHKGCMVXTKIV-NRFANRHFSA-N 1 1 318.464 4.964 20 30 DJEDMO C=CC[N@H+](Cc1cc(-c2ccccc2)no1)Cc1ccccc1 ZINC000502315342 340099587 /nfs/dbraw/zinc/09/95/87/340099587.db2.gz GOEQYZORNOZFGW-UHFFFAOYSA-N 1 1 304.393 4.530 20 30 DJEDMO C=CC[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccccc1 ZINC000502315342 340099588 /nfs/dbraw/zinc/09/95/88/340099588.db2.gz GOEQYZORNOZFGW-UHFFFAOYSA-N 1 1 304.393 4.530 20 30 DJEDMO C[C@H](c1cccc(F)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502497772 340106010 /nfs/dbraw/zinc/10/60/10/340106010.db2.gz YSFMHVNNQRSTFC-OAHLLOKOSA-N 1 1 306.384 4.548 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000507115082 340207880 /nfs/dbraw/zinc/20/78/80/340207880.db2.gz DAQWPYNWGUBNJG-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000507115082 340207881 /nfs/dbraw/zinc/20/78/81/340207881.db2.gz DAQWPYNWGUBNJG-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000507215860 340214077 /nfs/dbraw/zinc/21/40/77/340214077.db2.gz WNISKJQPCGGOBN-LLVKDONJSA-N 1 1 324.371 4.832 20 30 DJEDMO CC[N@H+](Cc1cccc(O)c1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000507331979 340217436 /nfs/dbraw/zinc/21/74/36/340217436.db2.gz GXBZFEYHVWEISV-ZDUSSCGKSA-N 1 1 314.816 4.500 20 30 DJEDMO CC[N@@H+](Cc1cccc(O)c1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000507331979 340217437 /nfs/dbraw/zinc/21/74/37/340217437.db2.gz GXBZFEYHVWEISV-ZDUSSCGKSA-N 1 1 314.816 4.500 20 30 DJEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCO[C@@H](CC)C1 ZINC000507615741 340226244 /nfs/dbraw/zinc/22/62/44/340226244.db2.gz AXKBDOMIFHWPFH-KBPBESRZSA-N 1 1 313.894 4.595 20 30 DJEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)s1 ZINC000507999467 340237176 /nfs/dbraw/zinc/23/71/76/340237176.db2.gz PGPBABXQOLFPGV-LJQANCHMSA-N 1 1 308.450 4.662 20 30 DJEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000507999452 340237218 /nfs/dbraw/zinc/23/72/18/340237218.db2.gz PGPBABXQOLFPGV-IBGZPJMESA-N 1 1 308.450 4.662 20 30 DJEDMO CC[N@@H+](Cc1cccc2cc[nH]c21)[C@H](C)c1ccc(C#N)cc1 ZINC000508602837 340247592 /nfs/dbraw/zinc/24/75/92/340247592.db2.gz GEPRIORSZYWION-OAHLLOKOSA-N 1 1 303.409 4.623 20 30 DJEDMO CC[N@@H+](Cc1cccc2cc[nH]c21)[C@@H](C)c1ccc(C#N)cc1 ZINC000508602836 340247648 /nfs/dbraw/zinc/24/76/48/340247648.db2.gz GEPRIORSZYWION-HNNXBMFYSA-N 1 1 303.409 4.623 20 30 DJEDMO CC[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508604496 340247790 /nfs/dbraw/zinc/24/77/90/340247790.db2.gz NEQXXZYNXHLJRR-GFCCVEGCSA-N 1 1 318.342 4.559 20 30 DJEDMO C=CC[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)Cc1cccs1 ZINC000509070343 340260208 /nfs/dbraw/zinc/26/02/08/340260208.db2.gz RKVDQNZBQVBZCQ-UHFFFAOYSA-N 1 1 324.449 4.900 20 30 DJEDMO C=CC[N@H+](Cc1cc(-c2ccc(C)cc2)no1)Cc1cccs1 ZINC000509070343 340260209 /nfs/dbraw/zinc/26/02/09/340260209.db2.gz RKVDQNZBQVBZCQ-UHFFFAOYSA-N 1 1 324.449 4.900 20 30 DJEDMO CC[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@H](C)C#N ZINC000509817736 340280047 /nfs/dbraw/zinc/28/00/47/340280047.db2.gz DRISXEXZHCAXGY-CYBMUJFWSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@H](C)C#N ZINC000509817736 340280048 /nfs/dbraw/zinc/28/00/48/340280048.db2.gz DRISXEXZHCAXGY-CYBMUJFWSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@@H](C)C#N ZINC000509817737 340280071 /nfs/dbraw/zinc/28/00/71/340280071.db2.gz DRISXEXZHCAXGY-ZDUSSCGKSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@@H](C)C#N ZINC000509817737 340280072 /nfs/dbraw/zinc/28/00/72/340280072.db2.gz DRISXEXZHCAXGY-ZDUSSCGKSA-N 1 1 302.418 4.536 20 30 DJEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(OC)c1 ZINC000302747585 340280878 /nfs/dbraw/zinc/28/08/78/340280878.db2.gz RSJYQPMAPIVSLP-UHFFFAOYSA-N 1 1 307.846 4.598 20 30 DJEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(OC)c1 ZINC000302747585 340280879 /nfs/dbraw/zinc/28/08/79/340280879.db2.gz RSJYQPMAPIVSLP-UHFFFAOYSA-N 1 1 307.846 4.598 20 30 DJEDMO N#CCCCC[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511073079 340320150 /nfs/dbraw/zinc/32/01/50/340320150.db2.gz NSXXVRJWRDIIAW-UHFFFAOYSA-N 1 1 310.363 4.611 20 30 DJEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)c1cc2ccccc2o1 ZINC000511896426 340342283 /nfs/dbraw/zinc/34/22/83/340342283.db2.gz OIKRIDDUGDSVSH-ZDUSSCGKSA-N 1 1 310.422 4.949 20 30 DJEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1ccc(C#N)cc1F ZINC000512277313 340355059 /nfs/dbraw/zinc/35/50/59/340355059.db2.gz GNGTUJQTGSGEIY-HNNXBMFYSA-N 1 1 323.415 4.779 20 30 DJEDMO C[N@H+](Cc1csc2ccccc12)Cc1cccc(C#N)c1F ZINC000512449440 340362362 /nfs/dbraw/zinc/36/23/62/340362362.db2.gz HEFORHTYGZUFJX-UHFFFAOYSA-N 1 1 310.397 4.544 20 30 DJEDMO C[N@@H+](Cc1csc2ccccc12)Cc1cccc(C#N)c1F ZINC000512449440 340362363 /nfs/dbraw/zinc/36/23/63/340362363.db2.gz HEFORHTYGZUFJX-UHFFFAOYSA-N 1 1 310.397 4.544 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1F ZINC000512618835 340369281 /nfs/dbraw/zinc/36/92/81/340369281.db2.gz JYFWAHZRFAMAMP-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512628986 340369874 /nfs/dbraw/zinc/36/98/74/340369874.db2.gz HHJMXCGMSUXLGC-QWRGUYRKSA-N 1 1 320.770 4.902 20 30 DJEDMO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512631458 340370075 /nfs/dbraw/zinc/37/00/75/340370075.db2.gz RHYIFMXPVOJICS-UONOGXRCSA-N 1 1 312.388 4.508 20 30 DJEDMO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512631457 340370110 /nfs/dbraw/zinc/37/01/10/340370110.db2.gz RHYIFMXPVOJICS-KGLIPLIRSA-N 1 1 312.388 4.508 20 30 DJEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819668 340396609 /nfs/dbraw/zinc/39/66/09/340396609.db2.gz ZVUSMHWZZPHPQN-RHSMWYFYSA-N 1 1 300.446 4.697 20 30 DJEDMO Cc1cc(NCCCCC#N)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000523973446 340645264 /nfs/dbraw/zinc/64/52/64/340645264.db2.gz CQGGCLOHNWTSRC-UHFFFAOYSA-N 1 1 323.318 4.548 20 30 DJEDMO N#CC1CC[NH+](Cc2ccc(-c3ccccc3)c(Cl)c2)CC1 ZINC000529526770 340759340 /nfs/dbraw/zinc/75/93/40/340759340.db2.gz ZVQCKMVVWNKJBZ-UHFFFAOYSA-N 1 1 310.828 4.743 20 30 DJEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(CC#N)cc2)C2CC2)o1 ZINC000542210454 341000368 /nfs/dbraw/zinc/00/03/68/341000368.db2.gz SIXMORGJTPMURI-MGPUTAFESA-N 1 1 320.436 4.634 20 30 DJEDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CCCC#N)c1 ZINC000544125420 341071217 /nfs/dbraw/zinc/07/12/17/341071217.db2.gz IEMWAMNBPICOQB-NHCUHLMSSA-N 1 1 320.436 4.530 20 30 DJEDMO C[C@H](c1ccco1)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000135282687 341235334 /nfs/dbraw/zinc/23/53/34/341235334.db2.gz WVQWSSDTLLDPTB-OAHLLOKOSA-N 1 1 308.425 4.806 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1Cl ZINC000135668651 341243577 /nfs/dbraw/zinc/24/35/77/341243577.db2.gz ZSQZOCHSUISELE-SECBINFHSA-N 1 1 311.237 4.777 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(F)c(F)c1 ZINC000548475132 341262614 /nfs/dbraw/zinc/26/26/14/341262614.db2.gz PPZZUBPHQCPOMM-MRXNPFEDSA-N 1 1 320.408 4.706 20 30 DJEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000550351053 341315520 /nfs/dbraw/zinc/31/55/20/341315520.db2.gz UXSDYSORHDMWSY-CQSZACIVSA-N 1 1 310.828 4.937 20 30 DJEDMO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+](C)CC(C)(C)C#N ZINC000552086114 341368557 /nfs/dbraw/zinc/36/85/57/341368557.db2.gz YEUAUMFMBCBUEY-LCYFTJDESA-N 1 1 310.363 4.590 20 30 DJEDMO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+](C)CC(C)(C)C#N ZINC000552086114 341368558 /nfs/dbraw/zinc/36/85/58/341368558.db2.gz YEUAUMFMBCBUEY-LCYFTJDESA-N 1 1 310.363 4.590 20 30 DJEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)cc1C ZINC000518826179 335020917 /nfs/dbraw/zinc/02/09/17/335020917.db2.gz IPDVKPQJWRRBCD-HXUWFJFHSA-N 1 1 308.400 4.651 20 30 DJEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCCCC(C)(C)C#N)s1 ZINC000409446896 332032448 /nfs/dbraw/zinc/03/24/48/332032448.db2.gz MMKGAUFXPMCODV-AWEZNQCLSA-N 1 1 307.507 4.727 20 30 DJEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000181254207 332188448 /nfs/dbraw/zinc/18/84/48/332188448.db2.gz VZABEHDSKARJCV-CYBMUJFWSA-N 1 1 304.821 4.872 20 30 DJEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000181254207 332188449 /nfs/dbraw/zinc/18/84/49/332188449.db2.gz VZABEHDSKARJCV-CYBMUJFWSA-N 1 1 304.821 4.872 20 30 DJEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000562252050 332564377 /nfs/dbraw/zinc/56/43/77/332564377.db2.gz AVEAWTCPAPNAQJ-INIZCTEOSA-N 1 1 316.351 4.539 20 30 DJEDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000466745052 333082801 /nfs/dbraw/zinc/08/28/01/333082801.db2.gz XVCBTXBLKLNKKK-SFHVURJKSA-N 1 1 316.514 4.768 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000180658136 333164079 /nfs/dbraw/zinc/16/40/79/333164079.db2.gz JLQGRJIOLLOCPP-UHFFFAOYSA-N 1 1 307.441 4.587 20 30 DJEDMO CCOc1ccccc1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000497619293 333270539 /nfs/dbraw/zinc/27/05/39/333270539.db2.gz RSJYWVFZZSUVHB-MRXNPFEDSA-N 1 1 308.425 4.540 20 30 DJEDMO C[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)c1ccc(C#N)cc1 ZINC000390667314 333312785 /nfs/dbraw/zinc/31/27/85/333312785.db2.gz NBMWOMQKVNWYDF-AWEZNQCLSA-N 1 1 319.433 4.533 20 30 DJEDMO N#CCC[C@@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000271477723 334023677 /nfs/dbraw/zinc/02/36/77/334023677.db2.gz IGULEXKBQDKBKV-MSOLQXFVSA-N 1 1 312.363 4.587 20 30 DJEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000353635058 334308161 /nfs/dbraw/zinc/30/81/61/334308161.db2.gz XZSZLUTXRPOFNU-AWEZNQCLSA-N 1 1 316.470 4.518 20 30 DJEDMO N#CCC[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccccc1 ZINC000189170718 334887897 /nfs/dbraw/zinc/88/78/97/334887897.db2.gz BWPHYOJCHRBZHK-QGZVFWFLSA-N 1 1 302.780 4.614 20 30 DJEDMO N#CCC[C@H]([NH2+]Cc1cccc(Cl)c1F)c1ccccc1 ZINC000344827745 335278560 /nfs/dbraw/zinc/27/85/60/335278560.db2.gz ANLNERWSXGHLOT-INIZCTEOSA-N 1 1 302.780 4.614 20 30 DJEDMO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000103139568 336239506 /nfs/dbraw/zinc/23/95/06/336239506.db2.gz RMVMWYBTPHWTMO-KRWDZBQOSA-N 1 1 302.780 4.592 20 30 DJEDMO C[C@H](C[N@@H+](C)Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000514100036 336323527 /nfs/dbraw/zinc/32/35/27/336323527.db2.gz SQCZTLUNAXWUST-GOSISDBHSA-N 1 1 322.452 4.605 20 30 DJEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000034992568 336385025 /nfs/dbraw/zinc/38/50/25/336385025.db2.gz DTDOWCCIAKYCSE-CQSZACIVSA-N 1 1 301.817 4.756 20 30 DJEDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000399224187 337314371 /nfs/dbraw/zinc/31/43/71/337314371.db2.gz DITMYNSJEGWFKJ-QGZVFWFLSA-N 1 1 304.437 4.553 20 30 DJEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000426401758 338030825 /nfs/dbraw/zinc/03/08/25/338030825.db2.gz HARFFFGQYYQZPZ-QGZVFWFLSA-N 1 1 301.842 4.590 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1C(F)(F)F ZINC000428310086 338046642 /nfs/dbraw/zinc/04/66/42/338046642.db2.gz FXSYIRFWAGXEQA-LLVKDONJSA-N 1 1 322.305 4.567 20 30 DJEDMO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)s1 ZINC000428364288 338048872 /nfs/dbraw/zinc/04/88/72/338048872.db2.gz SEMHTGXMHGMUDN-ZDUSSCGKSA-N 1 1 308.809 4.653 20 30 DJEDMO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000428407419 338050481 /nfs/dbraw/zinc/05/04/81/338050481.db2.gz WZBRWEXBMHWINL-UHFFFAOYSA-N 1 1 314.791 4.520 20 30 DJEDMO C[C@H]([NH2+]Cc1csc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000432242415 338150183 /nfs/dbraw/zinc/15/01/83/338150183.db2.gz ZUMMDOBNKZUNOA-VIFPVBQESA-N 1 1 311.237 4.777 20 30 DJEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433241979 338187488 /nfs/dbraw/zinc/18/74/88/338187488.db2.gz FOPCRURLOSLEOA-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439437213 338369348 /nfs/dbraw/zinc/36/93/48/338369348.db2.gz YZEMLKZULZPWRM-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439437213 338369349 /nfs/dbraw/zinc/36/93/49/338369349.db2.gz YZEMLKZULZPWRM-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439437218 338369484 /nfs/dbraw/zinc/36/94/84/338369484.db2.gz YZEMLKZULZPWRM-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439437218 338369485 /nfs/dbraw/zinc/36/94/85/338369485.db2.gz YZEMLKZULZPWRM-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)c(Cl)c1 ZINC000439441119 338369622 /nfs/dbraw/zinc/36/96/22/338369622.db2.gz PBMNDNKUTMJTQB-HNNXBMFYSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000461392839 339062791 /nfs/dbraw/zinc/06/27/91/339062791.db2.gz ZBDGLPUKJHZLOZ-UHFFFAOYSA-N 1 1 324.374 4.785 20 30 DJEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000463301123 339114218 /nfs/dbraw/zinc/11/42/18/339114218.db2.gz OEWZMTDOZQZNOG-RCCFBDPRSA-N 1 1 311.473 4.868 20 30 DJEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000463301123 339114219 /nfs/dbraw/zinc/11/42/19/339114219.db2.gz OEWZMTDOZQZNOG-RCCFBDPRSA-N 1 1 311.473 4.868 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760411 339151510 /nfs/dbraw/zinc/15/15/10/339151510.db2.gz GZKRNSGMGHBDCY-FUHWJXTLSA-N 1 1 322.477 4.733 20 30 DJEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000464839178 339156468 /nfs/dbraw/zinc/15/64/68/339156468.db2.gz PDOXXODOVQAVAA-ACJLOTCBSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000464839178 339156469 /nfs/dbraw/zinc/15/64/69/339156469.db2.gz PDOXXODOVQAVAA-ACJLOTCBSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2cc(C#N)ccc2F)o1 ZINC000464840899 339156676 /nfs/dbraw/zinc/15/66/76/339156676.db2.gz WKQJXVBWMKWOEG-ACJLOTCBSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2cc(C#N)ccc2F)o1 ZINC000464840899 339156677 /nfs/dbraw/zinc/15/66/77/339156677.db2.gz WKQJXVBWMKWOEG-ACJLOTCBSA-N 1 1 312.388 4.572 20 30 DJEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(F)c(C#N)c1 ZINC000468269154 339258320 /nfs/dbraw/zinc/25/83/20/339258320.db2.gz DDUOVVJQVQRHBP-UHFFFAOYSA-N 1 1 320.820 4.600 20 30 DJEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(F)c(C#N)c1 ZINC000468269154 339258321 /nfs/dbraw/zinc/25/83/21/339258321.db2.gz DDUOVVJQVQRHBP-UHFFFAOYSA-N 1 1 320.820 4.600 20 30 DJEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000501256907 340077349 /nfs/dbraw/zinc/07/73/49/340077349.db2.gz JPPYOONOJKJWRO-AWEZNQCLSA-N 1 1 320.392 4.506 20 30 DJEDMO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513185 340106574 /nfs/dbraw/zinc/10/65/74/340106574.db2.gz WNLKBJZZIMLMMO-HNNXBMFYSA-N 1 1 306.384 4.548 20 30 DJEDMO C[C@@H](c1ccccc1F)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531604 340107009 /nfs/dbraw/zinc/10/70/09/340107009.db2.gz QFOZPHJHAMLJRT-HNNXBMFYSA-N 1 1 306.384 4.548 20 30 DJEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000502953185 340117520 /nfs/dbraw/zinc/11/75/20/340117520.db2.gz PQFSUHVSLLTFTA-LJQANCHMSA-N 1 1 302.437 4.586 20 30 DJEDMO CC1(C#N)CC[NH+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000506016463 340183484 /nfs/dbraw/zinc/18/34/84/340183484.db2.gz CHIQMBYEWNEIHA-OAHLLOKOSA-N 1 1 309.240 4.606 20 30 DJEDMO CC[N@H+](CCSc1cc(Cl)ccc1Cl)C[C@@H](C)C#N ZINC000506062114 340184618 /nfs/dbraw/zinc/18/46/18/340184618.db2.gz VWMKIEYEZHESAX-NSHDSACASA-N 1 1 317.285 4.567 20 30 DJEDMO CC[N@@H+](CCSc1cc(Cl)ccc1Cl)C[C@@H](C)C#N ZINC000506062114 340184619 /nfs/dbraw/zinc/18/46/19/340184619.db2.gz VWMKIEYEZHESAX-NSHDSACASA-N 1 1 317.285 4.567 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)s1 ZINC000506394538 340194064 /nfs/dbraw/zinc/19/40/64/340194064.db2.gz JHKRBSZIXZDYKR-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)s1 ZINC000506394538 340194065 /nfs/dbraw/zinc/19/40/65/340194065.db2.gz JHKRBSZIXZDYKR-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000507206933 340213350 /nfs/dbraw/zinc/21/33/50/340213350.db2.gz ASJOBRNAQOFYAH-LLVKDONJSA-N 1 1 324.371 4.832 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000507212063 340213781 /nfs/dbraw/zinc/21/37/81/340213781.db2.gz NTLXCCDGABUISL-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000507212063 340213782 /nfs/dbraw/zinc/21/37/82/340213782.db2.gz NTLXCCDGABUISL-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000507362329 340218082 /nfs/dbraw/zinc/21/80/82/340218082.db2.gz YEEONVIMEHMJFS-NSHDSACASA-N 1 1 324.371 4.832 20 30 DJEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507615747 340226376 /nfs/dbraw/zinc/22/63/76/340226376.db2.gz AXKBDOMIFHWPFH-KGLIPLIRSA-N 1 1 313.894 4.595 20 30 DJEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCO[C@H](CC)C1 ZINC000507615749 340226411 /nfs/dbraw/zinc/22/64/11/340226411.db2.gz AXKBDOMIFHWPFH-UONOGXRCSA-N 1 1 313.894 4.595 20 30 DJEDMO N#Cc1csc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000508009074 340237317 /nfs/dbraw/zinc/23/73/17/340237317.db2.gz NHVSRSDWCDCYTL-LJQANCHMSA-N 1 1 308.450 4.662 20 30 DJEDMO C=CC[N@@H+](Cc1ncc(CSC)s1)CC1CCCCC1 ZINC000508554376 340246454 /nfs/dbraw/zinc/24/64/54/340246454.db2.gz URAFAICTHXMMQA-UHFFFAOYSA-N 1 1 310.532 4.574 20 30 DJEDMO C=CC[N@H+](Cc1ncc(CSC)s1)CC1CCCCC1 ZINC000508554376 340246455 /nfs/dbraw/zinc/24/64/55/340246455.db2.gz URAFAICTHXMMQA-UHFFFAOYSA-N 1 1 310.532 4.574 20 30 DJEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000508607686 340247985 /nfs/dbraw/zinc/24/79/85/340247985.db2.gz BWACDZNJLWCCOD-INIZCTEOSA-N 1 1 308.425 4.540 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 ZINC000508618139 340248383 /nfs/dbraw/zinc/24/83/83/340248383.db2.gz IZXKXMHQNAOHJB-UHFFFAOYSA-N 1 1 315.420 4.519 20 30 DJEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)c1ccccc1OC ZINC000508632991 340248870 /nfs/dbraw/zinc/24/88/70/340248870.db2.gz QYOBCZYHXVBIEW-AWEZNQCLSA-N 1 1 314.454 4.602 20 30 DJEDMO C=C(C)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000510954203 340316135 /nfs/dbraw/zinc/31/61/35/340316135.db2.gz WAEDWIRWOFLIDG-UHFFFAOYSA-N 1 1 323.465 4.609 20 30 DJEDMO CSc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000511116057 340321371 /nfs/dbraw/zinc/32/13/71/340321371.db2.gz PQHWNUSFUVRNSJ-RBUKOAKNSA-N 1 1 322.477 4.680 20 30 DJEDMO CC[N@@H+](CCSc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000303538386 340331645 /nfs/dbraw/zinc/33/16/45/340331645.db2.gz JAQBWQQNPGRKJV-INIZCTEOSA-N 1 1 310.466 4.733 20 30 DJEDMO N#CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511842188 340339936 /nfs/dbraw/zinc/33/99/36/340339936.db2.gz GEIAUVWGQZFKDU-VSKRKVRLSA-N 1 1 316.448 4.521 20 30 DJEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511895669 340342231 /nfs/dbraw/zinc/34/22/31/340342231.db2.gz YEFVTTLVGDDJBY-XUVXKRRUSA-N 1 1 310.485 4.975 20 30 DJEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2ccccc2c1 ZINC000512192364 340351710 /nfs/dbraw/zinc/35/17/10/340351710.db2.gz DTWAONCWFQIHEU-UHFFFAOYSA-N 1 1 321.420 4.503 20 30 DJEDMO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1F ZINC000512287208 340355468 /nfs/dbraw/zinc/35/54/68/340355468.db2.gz GOESBZOZIRAEOH-LBPRGKRZSA-N 1 1 314.791 4.691 20 30 DJEDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000512449689 340362325 /nfs/dbraw/zinc/36/23/25/340362325.db2.gz KDBJUNGCZBUTJH-ZDUSSCGKSA-N 1 1 308.356 4.637 20 30 DJEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000512449689 340362326 /nfs/dbraw/zinc/36/23/26/340362326.db2.gz KDBJUNGCZBUTJH-ZDUSSCGKSA-N 1 1 308.356 4.637 20 30 DJEDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512628984 340369808 /nfs/dbraw/zinc/36/98/08/340369808.db2.gz HHJMXCGMSUXLGC-GHMZBOCLSA-N 1 1 320.770 4.902 20 30 DJEDMO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641088 340370499 /nfs/dbraw/zinc/37/04/99/340370499.db2.gz DDBKVPJCWSNMJX-VOJFVSQTSA-N 1 1 318.342 4.777 20 30 DJEDMO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cc(F)ccc1F ZINC000512650153 340370954 /nfs/dbraw/zinc/37/09/54/340370954.db2.gz XNSOOBDSBQMHNZ-ADLMAVQZSA-N 1 1 318.342 4.777 20 30 DJEDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCCC(C)(C)C#N ZINC000174835365 340397208 /nfs/dbraw/zinc/39/72/08/340397208.db2.gz CEWBCSYCUVUYRF-ZDUSSCGKSA-N 1 1 323.278 4.772 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000174866293 340397959 /nfs/dbraw/zinc/39/79/59/340397959.db2.gz KUPQZDZCWNWLPF-INIZCTEOSA-N 1 1 322.905 4.760 20 30 DJEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000236919229 340666379 /nfs/dbraw/zinc/66/63/79/340666379.db2.gz NYKBSUZLRGOUGB-MRXNPFEDSA-N 1 1 305.425 4.596 20 30 DJEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000317060283 340699889 /nfs/dbraw/zinc/69/98/89/340699889.db2.gz XETPRKNOHZKMDM-LBPRGKRZSA-N 1 1 324.268 4.506 20 30 DJEDMO CC[C@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000317060278 340699951 /nfs/dbraw/zinc/69/99/51/340699951.db2.gz XETPRKNOHZKMDM-GFCCVEGCSA-N 1 1 324.268 4.506 20 30 DJEDMO N#CCC[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000130439379 341021840 /nfs/dbraw/zinc/02/18/40/341021840.db2.gz AGBPUPXCIVEXEP-SFHVURJKSA-N 1 1 308.356 4.707 20 30 DJEDMO N#CCC[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000130439145 341021860 /nfs/dbraw/zinc/02/18/60/341021860.db2.gz AGBPUPXCIVEXEP-GOSISDBHSA-N 1 1 308.356 4.707 20 30 DJEDMO CC1(C)Cc2cccc(C[NH2+][C@H](CCC#N)c3ccccc3)c2O1 ZINC000130548831 341027709 /nfs/dbraw/zinc/02/77/09/341027709.db2.gz ZNYYELVEYLIVNX-LJQANCHMSA-N 1 1 320.436 4.535 20 30 DJEDMO N#CCC[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000130592679 341030664 /nfs/dbraw/zinc/03/06/64/341030664.db2.gz NXKLWVFLRTXBMA-KRWDZBQOSA-N 1 1 302.780 4.614 20 30 DJEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000543207693 341036941 /nfs/dbraw/zinc/03/69/41/341036941.db2.gz IAASNVQDXNXWOL-HXUWFJFHSA-N 1 1 308.400 4.619 20 30 DJEDMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2CCCC#N)c1 ZINC000544125421 341071211 /nfs/dbraw/zinc/07/12/11/341071211.db2.gz IEMWAMNBPICOQB-RTWAWAEBSA-N 1 1 320.436 4.530 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)o1)C(c1ccccc1)c1ccccc1 ZINC000552102416 341370076 /nfs/dbraw/zinc/37/00/76/341370076.db2.gz FVINDHHZGFKTIU-UHFFFAOYSA-N 1 1 316.404 4.763 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)s1 ZINC000552216459 341378844 /nfs/dbraw/zinc/37/88/44/341378844.db2.gz NWYALIJQIGNIOM-LJQANCHMSA-N 1 1 321.449 4.828 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)s1 ZINC000552216459 341378845 /nfs/dbraw/zinc/37/88/45/341378845.db2.gz NWYALIJQIGNIOM-LJQANCHMSA-N 1 1 321.449 4.828 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1ccc(Cl)cc1OC)c1ccco1 ZINC000552268497 341382453 /nfs/dbraw/zinc/38/24/53/341382453.db2.gz LQLVVLIREUKQSG-HNNXBMFYSA-N 1 1 305.805 4.739 20 30 DJEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(Oc2ccccc2)c1 ZINC000088754507 341401453 /nfs/dbraw/zinc/40/14/53/341401453.db2.gz JDCJNSVWHMLVKV-UHFFFAOYSA-N 1 1 318.376 4.542 20 30 DJEDMO C=CCOc1cccc(C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000170668342 332863996 /nfs/dbraw/zinc/86/39/96/332863996.db2.gz PVDCGTWVBPDOGD-NRFANRHFSA-N 1 1 319.404 4.724 20 30 DJEDMO N#C[C@H]1CCC[C@H]([NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000447601439 331546290 /nfs/dbraw/zinc/54/62/90/331546290.db2.gz QBUGMVHWEBDHNN-RYUDHWBXSA-N 1 1 309.240 4.654 20 30 DJEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000447601484 331546366 /nfs/dbraw/zinc/54/63/66/331546366.db2.gz QBUGMVHWEBDHNN-VXGBXAGGSA-N 1 1 309.240 4.654 20 30 DJEDMO N#Cc1ccccc1C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000559326032 332025861 /nfs/dbraw/zinc/02/58/61/332025861.db2.gz AUHBWLNYOJMKFH-UHFFFAOYSA-N 1 1 317.219 4.644 20 30 DJEDMO COc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(F)c1 ZINC000090665880 332092419 /nfs/dbraw/zinc/09/24/19/332092419.db2.gz MPLCLFJLLNLKDG-KUHUBIRLSA-N 1 1 312.388 4.530 20 30 DJEDMO CC[N@@H+](CCCCC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000410333061 332113611 /nfs/dbraw/zinc/11/36/11/332113611.db2.gz OQMPSGDEEGMQAZ-KRWDZBQOSA-N 1 1 314.473 4.538 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000091953091 332115625 /nfs/dbraw/zinc/11/56/25/332115625.db2.gz GJFAWAKHLKDPOL-UHFFFAOYSA-N 1 1 315.848 4.509 20 30 DJEDMO CC(C)(CCC#N)C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000091953091 332115626 /nfs/dbraw/zinc/11/56/26/332115626.db2.gz GJFAWAKHLKDPOL-UHFFFAOYSA-N 1 1 315.848 4.509 20 30 DJEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000427007414 332164527 /nfs/dbraw/zinc/16/45/27/332164527.db2.gz HXPVMFTWVBRPME-GOSISDBHSA-N 1 1 315.338 4.504 20 30 DJEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000427007414 332164529 /nfs/dbraw/zinc/16/45/29/332164529.db2.gz HXPVMFTWVBRPME-GOSISDBHSA-N 1 1 315.338 4.504 20 30 DJEDMO N#Cc1c(F)cccc1Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000215620388 332192826 /nfs/dbraw/zinc/19/28/26/332192826.db2.gz ZSTXMWHHZURVLM-UHFFFAOYSA-N 1 1 320.371 4.517 20 30 DJEDMO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(F)ccc1F ZINC000560267347 332325710 /nfs/dbraw/zinc/32/57/10/332325710.db2.gz YAGWXZOFRCIZKR-SFHVURJKSA-N 1 1 312.363 4.566 20 30 DJEDMO N#Cc1ccccc1C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000560599417 332367582 /nfs/dbraw/zinc/36/75/82/332367582.db2.gz DURZBGWNLCCBCW-OAQYLSRUSA-N 1 1 302.421 4.600 20 30 DJEDMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000063068058 333397065 /nfs/dbraw/zinc/39/70/65/333397065.db2.gz RWYIFHIWXDBNML-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000063068058 333397067 /nfs/dbraw/zinc/39/70/67/333397067.db2.gz RWYIFHIWXDBNML-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO N#CCC[C@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000271477728 334023517 /nfs/dbraw/zinc/02/35/17/334023517.db2.gz IGULEXKBQDKBKV-ZWKOTPCHSA-N 1 1 312.363 4.587 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1c(F)cccc1F ZINC000271634051 334024809 /nfs/dbraw/zinc/02/48/09/334024809.db2.gz BSMQPFJSPHNMDT-CYBMUJFWSA-N 1 1 314.379 4.617 20 30 DJEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000532578963 336256163 /nfs/dbraw/zinc/25/61/63/336256163.db2.gz RJAYFHUKXTZFSZ-INIZCTEOSA-N 1 1 313.445 4.784 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1n[nH]cc1C)c1ccc(C(F)(F)F)cc1 ZINC000352829236 336267208 /nfs/dbraw/zinc/26/72/08/336267208.db2.gz FYDAKOODLRWHLG-HNNXBMFYSA-N 1 1 323.362 4.534 20 30 DJEDMO CC1(C#N)CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000482252405 336285037 /nfs/dbraw/zinc/28/50/37/336285037.db2.gz KVKGLTDDUGXOKG-UHFFFAOYSA-N 1 1 311.256 4.552 20 30 DJEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1cccc(C#N)c1 ZINC000192979591 336286487 /nfs/dbraw/zinc/28/64/87/336286487.db2.gz IRLWHVIZCRQIDC-MRXNPFEDSA-N 1 1 305.425 4.640 20 30 DJEDMO Cc1cc[nH+]c(NCc2cccc(-c3ccc(C#N)s3)c2)c1 ZINC000301641069 336320137 /nfs/dbraw/zinc/32/01/37/336320137.db2.gz MFPWXDAVTLIMCO-UHFFFAOYSA-N 1 1 305.406 4.602 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccco1 ZINC000367601996 336826459 /nfs/dbraw/zinc/82/64/59/336826459.db2.gz QWYSOMLBKIPGQV-MRXNPFEDSA-N 1 1 308.381 4.732 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360034585 337084025 /nfs/dbraw/zinc/08/40/25/337084025.db2.gz DMVLVSCONFHVNU-MRXNPFEDSA-N 1 1 311.429 4.685 20 30 DJEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000173904037 337138854 /nfs/dbraw/zinc/13/88/54/337138854.db2.gz JWERPTDZTZRENC-GJZGRUSLSA-N 1 1 317.392 4.625 20 30 DJEDMO C[C@@H]([NH2+][C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1F ZINC000421872461 337657479 /nfs/dbraw/zinc/65/74/79/337657479.db2.gz GVRPYUPEGIGDIF-PXAZEXFGSA-N 1 1 318.342 4.744 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(C#N)c(F)c1 ZINC000537405869 337933473 /nfs/dbraw/zinc/93/34/73/337933473.db2.gz AQGGUDQVLSYMBC-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO CCCc1csc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000426030521 338019755 /nfs/dbraw/zinc/01/97/55/338019755.db2.gz UMBWVLBSXBNQLN-AWEZNQCLSA-N 1 1 313.470 4.550 20 30 DJEDMO CCCc1csc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000426030521 338019756 /nfs/dbraw/zinc/01/97/56/338019756.db2.gz UMBWVLBSXBNQLN-AWEZNQCLSA-N 1 1 313.470 4.550 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000428292943 338045853 /nfs/dbraw/zinc/04/58/53/338045853.db2.gz DITWLSJHTYOJFH-NSHDSACASA-N 1 1 322.305 4.567 20 30 DJEDMO CC(C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1Cl ZINC000428324018 338047216 /nfs/dbraw/zinc/04/72/16/338047216.db2.gz XMAMSKIUQWFRKL-SFHVURJKSA-N 1 1 316.807 4.838 20 30 DJEDMO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1Cl ZINC000428324013 338047264 /nfs/dbraw/zinc/04/72/64/338047264.db2.gz XMAMSKIUQWFRKL-GOSISDBHSA-N 1 1 316.807 4.838 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432010193 338143631 /nfs/dbraw/zinc/14/36/31/338143631.db2.gz ALNHAKCSXRNEJP-QGZVFWFLSA-N 1 1 306.400 4.822 20 30 DJEDMO C[N@@H+](CCSCCCCC(C)(C)C#N)Cc1ccccc1 ZINC000433019882 338176571 /nfs/dbraw/zinc/17/65/71/338176571.db2.gz QEZYCCJRZWBEOC-UHFFFAOYSA-N 1 1 304.503 4.572 20 30 DJEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313870 338191686 /nfs/dbraw/zinc/19/16/86/338191686.db2.gz SHBNIQWYBPWUMB-INIZCTEOSA-N 1 1 304.865 4.849 20 30 DJEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000435295802 338236603 /nfs/dbraw/zinc/23/66/03/338236603.db2.gz CLGJQZFCEFAZNS-KRWDZBQOSA-N 1 1 302.418 4.588 20 30 DJEDMO C=C(C)C[NH+]1CCC(N[C@H](CC)c2cccc(Cl)c2F)CC1 ZINC000461102682 339059438 /nfs/dbraw/zinc/05/94/38/339059438.db2.gz POLNYOWJXRXOOK-QGZVFWFLSA-N 1 1 324.871 4.560 20 30 DJEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463304843 339114280 /nfs/dbraw/zinc/11/42/80/339114280.db2.gz WRQPHKXOLQCJCE-KPFFTGBYSA-N 1 1 311.473 4.555 20 30 DJEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463304846 339114351 /nfs/dbraw/zinc/11/43/51/339114351.db2.gz WRQPHKXOLQCJCE-YVWKXTFCSA-N 1 1 311.473 4.555 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760412 339151647 /nfs/dbraw/zinc/15/16/47/339151647.db2.gz GZKRNSGMGHBDCY-SJLPKXTDSA-N 1 1 322.477 4.733 20 30 DJEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCSCC#N ZINC000466702573 339213484 /nfs/dbraw/zinc/21/34/84/339213484.db2.gz CYYQTFXAHXXYHY-LLVKDONJSA-N 1 1 317.285 4.633 20 30 DJEDMO N#CCSCCC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000466734028 339214927 /nfs/dbraw/zinc/21/49/27/339214927.db2.gz AULPHLWTQYQMNB-UHFFFAOYSA-N 1 1 320.477 4.607 20 30 DJEDMO C[N@@H+](Cc1csc2ccccc12)Cc1ccc(F)c(C#N)c1 ZINC000468265321 339258067 /nfs/dbraw/zinc/25/80/67/339258067.db2.gz DKVVDWFDORKFRJ-UHFFFAOYSA-N 1 1 310.397 4.544 20 30 DJEDMO COc1ccc2cc(C[N@@H+](C)CCCC(C)(C)C#N)ccc2c1 ZINC000471714592 339352069 /nfs/dbraw/zinc/35/20/69/339352069.db2.gz QAOIBLHXBUONNO-UHFFFAOYSA-N 1 1 310.441 4.610 20 30 DJEDMO COc1ccc([C@@H]2CCCCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000471721860 339352412 /nfs/dbraw/zinc/35/24/12/339352412.db2.gz ZLIPPAIJMMPSDG-IBGZPJMESA-N 1 1 314.473 4.942 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000472247403 339367450 /nfs/dbraw/zinc/36/74/50/339367450.db2.gz DSYPICPEZFWNFT-UHFFFAOYSA-N 1 1 318.892 4.924 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1ncccc1CC)c1ccc(F)c(F)c1 ZINC000480665698 339582024 /nfs/dbraw/zinc/58/20/24/339582024.db2.gz QHTKYVURDCEDAC-FZKQIMNGSA-N 1 1 316.395 4.890 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1ncccc1CC)c1ccc(F)c(F)c1 ZINC000480665700 339582099 /nfs/dbraw/zinc/58/20/99/339582099.db2.gz QHTKYVURDCEDAC-UGSOOPFHSA-N 1 1 316.395 4.890 20 30 DJEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000502533038 340107084 /nfs/dbraw/zinc/10/70/84/340107084.db2.gz YOGFUMNUCCLDEF-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000502533038 340107085 /nfs/dbraw/zinc/10/70/85/340107085.db2.gz YOGFUMNUCCLDEF-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000502549506 340107462 /nfs/dbraw/zinc/10/74/62/340107462.db2.gz ZWVKUZBNAPSGOL-UHFFFAOYSA-N 1 1 314.388 4.594 20 30 DJEDMO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000506565075 340196826 /nfs/dbraw/zinc/19/68/26/340196826.db2.gz WXDWUFSLOCIDOQ-SJKOYZFVSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000506565075 340196827 /nfs/dbraw/zinc/19/68/27/340196827.db2.gz WXDWUFSLOCIDOQ-SJKOYZFVSA-N 1 1 312.438 4.501 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)s1 ZINC000507170218 340210838 /nfs/dbraw/zinc/21/08/38/340210838.db2.gz MIQGBDZUCVWXBO-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)s1 ZINC000507170218 340210839 /nfs/dbraw/zinc/21/08/39/340210839.db2.gz MIQGBDZUCVWXBO-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000507215862 340213995 /nfs/dbraw/zinc/21/39/95/340213995.db2.gz WNISKJQPCGGOBN-NSHDSACASA-N 1 1 324.371 4.832 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000508777235 340253058 /nfs/dbraw/zinc/25/30/58/340253058.db2.gz DJROPBPQORCDNG-UHFFFAOYSA-N 1 1 302.437 4.900 20 30 DJEDMO C[C@H](c1cccs1)[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000508814343 340253518 /nfs/dbraw/zinc/25/35/18/340253518.db2.gz UZDOKKMTIBWOKW-OAHLLOKOSA-N 1 1 322.433 4.976 20 30 DJEDMO C[C@H](c1cccs1)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000508814343 340253519 /nfs/dbraw/zinc/25/35/19/340253519.db2.gz UZDOKKMTIBWOKW-OAHLLOKOSA-N 1 1 322.433 4.976 20 30 DJEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cc(Cl)cc(Cl)c1 ZINC000509589520 340274399 /nfs/dbraw/zinc/27/43/99/340274399.db2.gz WWASVHLCMDIWLI-UHFFFAOYSA-N 1 1 311.237 4.559 20 30 DJEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(Cl)cc(Cl)c1 ZINC000509589520 340274400 /nfs/dbraw/zinc/27/44/00/340274400.db2.gz WWASVHLCMDIWLI-UHFFFAOYSA-N 1 1 311.237 4.559 20 30 DJEDMO CC[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@@H](C)C#N ZINC000509811991 340279857 /nfs/dbraw/zinc/27/98/57/340279857.db2.gz LTXCMPSOSITFHP-ZDUSSCGKSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@@H](C)C#N ZINC000509811991 340279858 /nfs/dbraw/zinc/27/98/58/340279858.db2.gz LTXCMPSOSITFHP-ZDUSSCGKSA-N 1 1 302.418 4.536 20 30 DJEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000511471677 340327828 /nfs/dbraw/zinc/32/78/28/340327828.db2.gz JOQADPWMNMGVTO-HXUWFJFHSA-N 1 1 312.457 4.524 20 30 DJEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511895668 340342239 /nfs/dbraw/zinc/34/22/39/340342239.db2.gz YEFVTTLVGDDJBY-VAMGGRTRSA-N 1 1 310.485 4.975 20 30 DJEDMO C[C@H]([NH2+]CC#Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000192182422 340564209 /nfs/dbraw/zinc/56/42/09/340564209.db2.gz TWGZFHDSJPUTAX-INIZCTEOSA-N 1 1 318.445 4.512 20 30 DJEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000236909588 340666170 /nfs/dbraw/zinc/66/61/70/340666170.db2.gz NYKBSUZLRGOUGB-INIZCTEOSA-N 1 1 305.425 4.596 20 30 DJEDMO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccccc1C#N ZINC000539334943 340881490 /nfs/dbraw/zinc/88/14/90/340881490.db2.gz PSWUJIXRFAFEJR-HXUWFJFHSA-N 1 1 322.452 4.834 20 30 DJEDMO C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)c1cccc(C#N)c1 ZINC000540592184 340936930 /nfs/dbraw/zinc/93/69/30/340936930.db2.gz UOHGUNJGQAZMBV-NSHDSACASA-N 1 1 305.208 4.716 20 30 DJEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000544071399 341069194 /nfs/dbraw/zinc/06/91/94/341069194.db2.gz YYUGPCMQZZIEIA-UHFFFAOYSA-N 1 1 319.235 4.691 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170007 341287823 /nfs/dbraw/zinc/28/78/23/341287823.db2.gz FGTCWBVQYQJWIF-CZUORRHYSA-N 1 1 322.374 4.674 20 30 DJEDMO CC(C)(C#N)CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000549960926 341307970 /nfs/dbraw/zinc/30/79/70/341307970.db2.gz HPAOLPAIKPRMSM-HXUWFJFHSA-N 1 1 304.437 4.574 20 30 DJEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+](C)CC(C)(C)C#N ZINC000552084874 341368157 /nfs/dbraw/zinc/36/81/57/341368157.db2.gz CNTKVKKXPCRZGE-JYRVWZFOSA-N 1 1 310.363 4.590 20 30 DJEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](C)CC(C)(C)C#N ZINC000552084874 341368158 /nfs/dbraw/zinc/36/81/58/341368158.db2.gz CNTKVKKXPCRZGE-JYRVWZFOSA-N 1 1 310.363 4.590 20 30 DJEDMO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+](C)CC(C)(C)C#N ZINC000552086115 341368456 /nfs/dbraw/zinc/36/84/56/341368456.db2.gz YEUAUMFMBCBUEY-UKTHLTGXSA-N 1 1 310.363 4.590 20 30 DJEDMO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+](C)CC(C)(C)C#N ZINC000552086115 341368457 /nfs/dbraw/zinc/36/84/57/341368457.db2.gz YEUAUMFMBCBUEY-UKTHLTGXSA-N 1 1 310.363 4.590 20 30 DJEDMO C[N@H+](Cc1ccc(-c2ccccc2F)s1)CC(C)(C)C#N ZINC000552316844 341385941 /nfs/dbraw/zinc/38/59/41/341385941.db2.gz OUOUEJYLZVLCJN-UHFFFAOYSA-N 1 1 302.418 4.536 20 30 DJEDMO C[N@@H+](Cc1ccc(-c2ccccc2F)s1)CC(C)(C)C#N ZINC000552316844 341385942 /nfs/dbraw/zinc/38/59/42/341385942.db2.gz OUOUEJYLZVLCJN-UHFFFAOYSA-N 1 1 302.418 4.536 20 30 DJEDMO C[N@H+](Cc1ccc(F)c(-c2cccs2)c1)CC(C)(C)C#N ZINC000552316880 341386011 /nfs/dbraw/zinc/38/60/11/341386011.db2.gz QIKJFEABKVWJBN-UHFFFAOYSA-N 1 1 302.418 4.536 20 30 DJEDMO C[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)CC(C)(C)C#N ZINC000552316880 341386012 /nfs/dbraw/zinc/38/60/12/341386012.db2.gz QIKJFEABKVWJBN-UHFFFAOYSA-N 1 1 302.418 4.536 20 30 DJEDMO C[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1F ZINC000567024884 341575025 /nfs/dbraw/zinc/57/50/25/341575025.db2.gz BZWWDQFZXPCUCP-OTYXRUKQSA-N 1 1 320.820 4.750 20 30 DJEDMO N#Cc1c(F)ccc(CNc2ccc(C3CCC3)c[nH+]2)c1Cl ZINC000339566586 526521720 /nfs/dbraw/zinc/52/17/20/526521720.db2.gz ZTBMEFDZACWJKT-UHFFFAOYSA-N 1 1 315.779 4.625 20 30 DJEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000442669382 335002409 /nfs/dbraw/zinc/00/24/09/335002409.db2.gz AYRMPEHNJQYXEC-FUHWJXTLSA-N 1 1 322.477 4.733 20 30 DJEDMO C=CCC[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccco1 ZINC000287526770 335044562 /nfs/dbraw/zinc/04/45/62/335044562.db2.gz OTMOBRJAXXNDCI-CVEARBPZSA-N 1 1 301.361 4.539 20 30 DJEDMO C[C@H](c1ccccc1Cl)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000059334039 184136880 /nfs/dbraw/zinc/13/68/80/184136880.db2.gz UAGXDRFWVSWGDV-CQSZACIVSA-N 1 1 310.828 4.937 20 30 DJEDMO C[C@H](c1ccccc1Cl)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000059334039 184136882 /nfs/dbraw/zinc/13/68/82/184136882.db2.gz UAGXDRFWVSWGDV-CQSZACIVSA-N 1 1 310.828 4.937 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000175026259 332873496 /nfs/dbraw/zinc/87/34/96/332873496.db2.gz UKPKMSAFAFOSHK-NWDGAFQWSA-N 1 1 302.780 4.763 20 30 DJEDMO CCCC(C)(C)[N@@H+](Cc1cccs1)Cc1ccc(C#N)cn1 ZINC000569468967 332097655 /nfs/dbraw/zinc/09/76/55/332097655.db2.gz KLZPXQPQLGUCLH-UHFFFAOYSA-N 1 1 313.470 4.596 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccc(F)c(F)c1 ZINC000186451954 335157916 /nfs/dbraw/zinc/15/79/16/335157916.db2.gz NSEHNJCQGMIMDD-SCLBCKFNSA-N 1 1 319.399 4.710 20 30 DJEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000534728325 334332541 /nfs/dbraw/zinc/33/25/41/334332541.db2.gz KYVUSLMZHOCHTB-SFHVURJKSA-N 1 1 302.487 4.594 20 30 DJEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)cc1 ZINC000076900271 334923668 /nfs/dbraw/zinc/92/36/68/334923668.db2.gz KYLSXBFOLBTIRS-AWEZNQCLSA-N 1 1 316.470 4.682 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1Cl ZINC000192079953 336017171 /nfs/dbraw/zinc/01/71/71/336017171.db2.gz HTLFUPUDQPIYIO-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1cccc(C#N)c1 ZINC000193001777 336286705 /nfs/dbraw/zinc/28/67/05/336286705.db2.gz ZXHJFCWBELGGSN-YWZLYKJASA-N 1 1 302.377 4.591 20 30 DJEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376559764 337036845 /nfs/dbraw/zinc/03/68/45/337036845.db2.gz ZCPCSRXMNHGLOP-MRXNPFEDSA-N 1 1 303.450 4.611 20 30 DJEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000582871896 337209437 /nfs/dbraw/zinc/20/94/37/337209437.db2.gz NVADQUFBNKTNJQ-MQJVFOOVSA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000582871896 337209438 /nfs/dbraw/zinc/20/94/38/337209438.db2.gz NVADQUFBNKTNJQ-MQJVFOOVSA-N 1 1 322.374 4.733 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(C#N)c(F)c1 ZINC000537405873 337933541 /nfs/dbraw/zinc/93/35/41/337933541.db2.gz AQGGUDQVLSYMBC-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000426401756 338030817 /nfs/dbraw/zinc/03/08/17/338030817.db2.gz HARFFFGQYYQZPZ-KRWDZBQOSA-N 1 1 301.842 4.590 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000428311314 338046654 /nfs/dbraw/zinc/04/66/54/338046654.db2.gz QLJGILXGRPRLMK-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cc2ccccc2s1 ZINC000428352339 338048408 /nfs/dbraw/zinc/04/84/08/338048408.db2.gz KOMKALBAMPHJMI-LBPRGKRZSA-N 1 1 310.397 4.763 20 30 DJEDMO CC(C)(C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1 ZINC000428379150 338049689 /nfs/dbraw/zinc/04/96/89/338049689.db2.gz BKTMHVMQRMECTQ-GOSISDBHSA-N 1 1 314.379 4.713 20 30 DJEDMO Cc1cc([C@@H]2CCC[N@H+]2CCCCC#N)ccc1Br ZINC000430238504 338102666 /nfs/dbraw/zinc/10/26/66/338102666.db2.gz KNXMHVUDSMIOIU-INIZCTEOSA-N 1 1 321.262 4.588 20 30 DJEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000435281110 338236282 /nfs/dbraw/zinc/23/62/82/338236282.db2.gz VOKKZMZZQMKCCF-KRWDZBQOSA-N 1 1 302.418 4.588 20 30 DJEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(Cl)ccc1Cl ZINC000154728080 338250903 /nfs/dbraw/zinc/25/09/03/338250903.db2.gz QZAWYZUNONMTFR-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000437579072 338314282 /nfs/dbraw/zinc/31/42/82/338314282.db2.gz NHBOEQJWNIWYBY-AWEZNQCLSA-N 1 1 321.399 4.762 20 30 DJEDMO C[C@@]1(c2ccccc2)CC[C@@H]([N@H+](CCC#N)Cc2ccco2)C1 ZINC000437595522 338315687 /nfs/dbraw/zinc/31/56/87/338315687.db2.gz YYGYXGJVIYKVHC-UYAOXDASSA-N 1 1 308.425 4.506 20 30 DJEDMO C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+](CCC#N)Cc2ccco2)C1 ZINC000437595522 338315688 /nfs/dbraw/zinc/31/56/88/338315688.db2.gz YYGYXGJVIYKVHC-UYAOXDASSA-N 1 1 308.425 4.506 20 30 DJEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439425553 338368966 /nfs/dbraw/zinc/36/89/66/338368966.db2.gz URCPMRQSXVBGHZ-NSHDSACASA-N 1 1 320.770 4.683 20 30 DJEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439425553 338368967 /nfs/dbraw/zinc/36/89/67/338368967.db2.gz URCPMRQSXVBGHZ-NSHDSACASA-N 1 1 320.770 4.683 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl ZINC000160532510 338552686 /nfs/dbraw/zinc/55/26/86/338552686.db2.gz HNGLLXMTXKAGQV-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO CC(C)c1ccc(CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000462458347 339079294 /nfs/dbraw/zinc/07/92/94/339079294.db2.gz UOJZXVQNCDREQG-FQEVSTJZSA-N 1 1 323.484 4.508 20 30 DJEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000463301121 339114172 /nfs/dbraw/zinc/11/41/72/339114172.db2.gz OEWZMTDOZQZNOG-OKZBNKHCSA-N 1 1 311.473 4.868 20 30 DJEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000463301121 339114173 /nfs/dbraw/zinc/11/41/73/339114173.db2.gz OEWZMTDOZQZNOG-OKZBNKHCSA-N 1 1 311.473 4.868 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000464873994 339159665 /nfs/dbraw/zinc/15/96/65/339159665.db2.gz ASNWDCYJDKBQRY-UHFFFAOYSA-N 1 1 316.464 4.943 20 30 DJEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2o1 ZINC000467377397 339235351 /nfs/dbraw/zinc/23/53/51/339235351.db2.gz NMYOZHCNJGSFHW-STQMWFEESA-N 1 1 308.356 4.855 20 30 DJEDMO C=C[C@](C)(CC)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000468004393 339251018 /nfs/dbraw/zinc/25/10/18/339251018.db2.gz LGGCLUXWJWKABL-HXUWFJFHSA-N 1 1 314.473 4.589 20 30 DJEDMO CC#CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000471182130 339339702 /nfs/dbraw/zinc/33/97/02/339339702.db2.gz PVLMUGYZPDCSLW-KRWDZBQOSA-N 1 1 308.425 4.625 20 30 DJEDMO CC#CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000471182130 339339703 /nfs/dbraw/zinc/33/97/03/339339703.db2.gz PVLMUGYZPDCSLW-KRWDZBQOSA-N 1 1 308.425 4.625 20 30 DJEDMO C=C(C)[C@H]([NH2+]Cc1cc(C)ccc1OC)c1ccc(F)c(F)c1 ZINC000479393594 339532972 /nfs/dbraw/zinc/53/29/72/339532972.db2.gz MTTHMYNLJPNIHS-IBGZPJMESA-N 1 1 317.379 4.689 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C)ccc1F)c1ccc(F)c(F)c1 ZINC000479425291 339534458 /nfs/dbraw/zinc/53/44/58/339534458.db2.gz SIQAUDZTZQKORZ-GOSISDBHSA-N 1 1 305.343 4.819 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC000480657418 339581371 /nfs/dbraw/zinc/58/13/71/339581371.db2.gz HDTDCLBKENVTEY-YJYMSZOUSA-N 1 1 317.379 4.941 20 30 DJEDMO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000482894275 339646380 /nfs/dbraw/zinc/64/63/80/339646380.db2.gz SEPNMCCAOLDRRQ-SFHVURJKSA-N 1 1 317.379 4.771 20 30 DJEDMO Cc1cc(C[NH2+][C@H](C)c2c(F)cccc2Cl)ccc1C#N ZINC000488170615 339772470 /nfs/dbraw/zinc/77/24/70/339772470.db2.gz QIIJYUQAKXEXGP-GFCCVEGCSA-N 1 1 302.780 4.510 20 30 DJEDMO C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499168981 340031577 /nfs/dbraw/zinc/03/15/77/340031577.db2.gz LXKTZTRYHGKAEE-ZIBCJSCZSA-N 1 1 312.501 4.516 20 30 DJEDMO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000502305897 340099330 /nfs/dbraw/zinc/09/93/30/340099330.db2.gz YNDOXOADZFTBIC-RNQWEJQRSA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000502305897 340099331 /nfs/dbraw/zinc/09/93/31/340099331.db2.gz YNDOXOADZFTBIC-RNQWEJQRSA-N 1 1 322.374 4.733 20 30 DJEDMO C[C@H](c1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513186 340106583 /nfs/dbraw/zinc/10/65/83/340106583.db2.gz WNLKBJZZIMLMMO-OAHLLOKOSA-N 1 1 306.384 4.548 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)c1ccc(C#N)cc1 ZINC000503568238 340130841 /nfs/dbraw/zinc/13/08/41/340130841.db2.gz GNMAGYOOYIGUHF-HNNXBMFYSA-N 1 1 318.376 4.794 20 30 DJEDMO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000506035588 340183877 /nfs/dbraw/zinc/18/38/77/340183877.db2.gz HLLDAHFHTOAMJI-HNNXBMFYSA-N 1 1 321.262 4.526 20 30 DJEDMO C=CCOc1ccc(C[N@@H+](Cc2nccs2)C(C)(C)C)cc1 ZINC000506041941 340184094 /nfs/dbraw/zinc/18/40/94/340184094.db2.gz ZDTGDJZMOAOOOY-UHFFFAOYSA-N 1 1 316.470 4.509 20 30 DJEDMO C=CCOc1ccc(C[N@H+](Cc2nccs2)C(C)(C)C)cc1 ZINC000506041941 340184095 /nfs/dbraw/zinc/18/40/95/340184095.db2.gz ZDTGDJZMOAOOOY-UHFFFAOYSA-N 1 1 316.470 4.509 20 30 DJEDMO COc1ccc2cc(C[N@@H+](C)CC(C)(C)CCC#N)ccc2c1 ZINC000506039950 340184112 /nfs/dbraw/zinc/18/41/12/340184112.db2.gz FPCWWUWSBWECQF-UHFFFAOYSA-N 1 1 310.441 4.610 20 30 DJEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000506553863 340196684 /nfs/dbraw/zinc/19/66/84/340196684.db2.gz DJONHBLFFOIHSH-PXAZEXFGSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000506553863 340196685 /nfs/dbraw/zinc/19/66/85/340196685.db2.gz DJONHBLFFOIHSH-PXAZEXFGSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000506565074 340196821 /nfs/dbraw/zinc/19/68/21/340196821.db2.gz WXDWUFSLOCIDOQ-SJCJKPOMSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000506565074 340196822 /nfs/dbraw/zinc/19/68/22/340196822.db2.gz WXDWUFSLOCIDOQ-SJCJKPOMSA-N 1 1 312.438 4.501 20 30 DJEDMO CC(C)[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(Cl)c1 ZINC000507146848 340209650 /nfs/dbraw/zinc/20/96/50/340209650.db2.gz XXOONRVGEKDELL-UHFFFAOYSA-N 1 1 304.846 4.684 20 30 DJEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000507195715 340212507 /nfs/dbraw/zinc/21/25/07/340212507.db2.gz VLFAQBGZWGJXBG-GOSISDBHSA-N 1 1 322.452 4.871 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000507194902 340212672 /nfs/dbraw/zinc/21/26/72/340212672.db2.gz SBUHPTCAJACLHG-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000507194902 340212673 /nfs/dbraw/zinc/21/26/73/340212673.db2.gz SBUHPTCAJACLHG-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccccc1 ZINC000507238710 340214988 /nfs/dbraw/zinc/21/49/88/340214988.db2.gz XBVPVIWIYCKRNM-UHFFFAOYSA-N 1 1 312.416 4.857 20 30 DJEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(C(F)(F)F)c1 ZINC000508531751 340245798 /nfs/dbraw/zinc/24/57/98/340245798.db2.gz PSPJGHYJGGAFHV-UHFFFAOYSA-N 1 1 322.330 4.581 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000508580251 340246856 /nfs/dbraw/zinc/24/68/56/340246856.db2.gz DYKUMGMRPHALLM-MRXNPFEDSA-N 1 1 308.425 4.540 20 30 DJEDMO CC[N@@H+](Cc1cccc2[nH]ccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000508602478 340247658 /nfs/dbraw/zinc/24/76/58/340247658.db2.gz DWQAYYZMFAOKMR-HNNXBMFYSA-N 1 1 303.409 4.623 20 30 DJEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)c1ccccc1OC ZINC000508632993 340248953 /nfs/dbraw/zinc/24/89/53/340248953.db2.gz QYOBCZYHXVBIEW-CQSZACIVSA-N 1 1 314.454 4.602 20 30 DJEDMO CC[N@H+](Cc1cc(F)c(F)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000508673260 340250239 /nfs/dbraw/zinc/25/02/39/340250239.db2.gz VOEPREBXVUXJEZ-LBPRGKRZSA-N 1 1 318.342 4.559 20 30 DJEDMO CC[N@@H+](Cc1cc(F)c(F)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000508673260 340250240 /nfs/dbraw/zinc/25/02/40/340250240.db2.gz VOEPREBXVUXJEZ-LBPRGKRZSA-N 1 1 318.342 4.559 20 30 DJEDMO C[C@@H](c1cccs1)[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000508814341 340253600 /nfs/dbraw/zinc/25/36/00/340253600.db2.gz UZDOKKMTIBWOKW-HNNXBMFYSA-N 1 1 322.433 4.976 20 30 DJEDMO C[C@@H](c1cccs1)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000508814341 340253601 /nfs/dbraw/zinc/25/36/01/340253601.db2.gz UZDOKKMTIBWOKW-HNNXBMFYSA-N 1 1 322.433 4.976 20 30 DJEDMO C=C(C)CC[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000509366708 340267381 /nfs/dbraw/zinc/26/73/81/340267381.db2.gz PRUNKVZLLLAJIQ-KRWDZBQOSA-N 1 1 311.473 4.763 20 30 DJEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000510173564 340291396 /nfs/dbraw/zinc/29/13/96/340291396.db2.gz AQAKEXSCXHWEGS-UHFFFAOYSA-N 1 1 323.223 4.869 20 30 DJEDMO CC(C)(C#N)CCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510216812 340292853 /nfs/dbraw/zinc/29/28/53/340292853.db2.gz WYHXOZNKGRPXST-UHFFFAOYSA-N 1 1 304.865 4.882 20 30 DJEDMO CC(C)[N@@H+](CCSc1ccccc1)Cc1ccc(C#N)cc1 ZINC000510233334 340293410 /nfs/dbraw/zinc/29/34/10/340293410.db2.gz JEZQNSZLZREHER-UHFFFAOYSA-N 1 1 310.466 4.561 20 30 DJEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511095023 340320596 /nfs/dbraw/zinc/32/05/96/340320596.db2.gz ZJQVTKRONZGGRS-HNNXBMFYSA-N 1 1 324.390 4.825 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)c1cc2ccccc2o1 ZINC000511764658 340337624 /nfs/dbraw/zinc/33/76/24/340337624.db2.gz HOVXTZUIIHLFPT-AWEZNQCLSA-N 1 1 308.381 4.871 20 30 DJEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cccc(F)c1 ZINC000512531859 340365767 /nfs/dbraw/zinc/36/57/67/340365767.db2.gz KDEYVPIMJMGXEB-MRXNPFEDSA-N 1 1 315.436 4.742 20 30 DJEDMO C=C(C)C[N@H+](C/C=C/c1ccccc1)Cc1cnn(C(C)C)c1 ZINC000512532779 340365774 /nfs/dbraw/zinc/36/57/74/340365774.db2.gz VECSIXRHCADCAS-DHZHZOJOSA-N 1 1 309.457 4.556 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512653436 340371072 /nfs/dbraw/zinc/37/10/72/340371072.db2.gz FHZHWPMWAYJGJQ-NWDGAFQWSA-N 1 1 302.780 4.763 20 30 DJEDMO Cc1ccc(C[N@@H+](CCCC(C)(C)C#N)Cc2ccco2)s1 ZINC000174834123 340397063 /nfs/dbraw/zinc/39/70/63/340397063.db2.gz MWNBFCVWBQZUNU-UHFFFAOYSA-N 1 1 316.470 4.982 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000237484835 340671445 /nfs/dbraw/zinc/67/14/45/340671445.db2.gz GLQAROIVCJWSSG-AWEZNQCLSA-N 1 1 319.433 4.533 20 30 DJEDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211996 341000402 /nfs/dbraw/zinc/00/04/02/341000402.db2.gz AUIJAPHIQOCQLH-CQSZACIVSA-N 1 1 321.449 4.555 20 30 DJEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211996 341000403 /nfs/dbraw/zinc/00/04/03/341000403.db2.gz AUIJAPHIQOCQLH-CQSZACIVSA-N 1 1 321.449 4.555 20 30 DJEDMO N#Cc1ccc(C2=CC[N@H+](Cc3sccc3Cl)CC2)cc1 ZINC000549392800 341293177 /nfs/dbraw/zinc/29/31/77/341293177.db2.gz CZGHMWAGCXHMNN-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3sccc3Cl)CC2)cc1 ZINC000549392800 341293178 /nfs/dbraw/zinc/29/31/78/341293178.db2.gz CZGHMWAGCXHMNN-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO CCCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000549832977 341304426 /nfs/dbraw/zinc/30/44/26/341304426.db2.gz GQAXOBCLLLDQAK-UHFFFAOYSA-N 1 1 320.436 4.512 20 30 DJEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000550210432 341312523 /nfs/dbraw/zinc/31/25/23/341312523.db2.gz BXEZYGUKXOGEID-MRXNPFEDSA-N 1 1 322.427 4.616 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1cc(C(CC)CC)no1)c1ccco1 ZINC000286310179 335034726 /nfs/dbraw/zinc/03/47/26/335034726.db2.gz XCDRWBADQPLJBU-INIZCTEOSA-N 1 1 302.418 4.968 20 30 DJEDMO COc1cc(C[N@@H+](C)CCCCC(C)(C)C#N)ccc1SC ZINC000409447316 332031616 /nfs/dbraw/zinc/03/16/16/332031616.db2.gz AEXWQRXVPWUIMW-UHFFFAOYSA-N 1 1 320.502 4.569 20 30 DJEDMO COc1cccc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)c1 ZINC000409447357 332031975 /nfs/dbraw/zinc/03/19/75/332031975.db2.gz SODUAMPJRAPRTE-SFHVURJKSA-N 1 1 300.446 4.552 20 30 DJEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000090665751 332092467 /nfs/dbraw/zinc/09/24/67/332092467.db2.gz RZKYJDMKHQDRRB-YVEFUNNKSA-N 1 1 318.342 4.800 20 30 DJEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000090665588 332092545 /nfs/dbraw/zinc/09/25/45/332092545.db2.gz QHUWTLOZQHLLTE-FZKQIMNGSA-N 1 1 300.352 4.660 20 30 DJEDMO CCC1CCC([N@@H+](CCCC2(C#N)CCOCC2)C2CC2)CC1 ZINC000410322306 332111026 /nfs/dbraw/zinc/11/10/26/332111026.db2.gz UCEJTFICDFNTSN-UHFFFAOYSA-N 1 1 318.505 4.520 20 30 DJEDMO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(C#N)cc1Cl ZINC000559457327 332260932 /nfs/dbraw/zinc/26/09/32/332260932.db2.gz DYVXXUPFWBZOCG-GFCCVEGCSA-N 1 1 310.784 4.809 20 30 DJEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000531101477 332261950 /nfs/dbraw/zinc/26/19/50/332261950.db2.gz DFJMRLANBVGTBT-UHFFFAOYSA-N 1 1 322.880 4.574 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1ncc(CSC)s1)c1ccccc1 ZINC000293248623 335102658 /nfs/dbraw/zinc/10/26/58/335102658.db2.gz LWGLYMIRYCLOHF-INIZCTEOSA-N 1 1 318.511 4.803 20 30 DJEDMO Cc1ccccc1C[N@@H+](CCCC(C)(C)C#N)Cc1ccccn1 ZINC000580316946 333109602 /nfs/dbraw/zinc/10/96/02/333109602.db2.gz HMWGATPODSOETM-UHFFFAOYSA-N 1 1 321.468 4.722 20 30 DJEDMO C[C@H](c1ccccc1)[N@@H+](CCCCC#N)Cc1ccccc1O ZINC000176680864 333117825 /nfs/dbraw/zinc/11/78/25/333117825.db2.gz WVUHRFKUUFXPNQ-QGZVFWFLSA-N 1 1 308.425 4.649 20 30 DJEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000216166375 333367120 /nfs/dbraw/zinc/36/71/20/333367120.db2.gz JSZMOPXHVVBTOG-QGZVFWFLSA-N 1 1 322.452 4.579 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cncc(C)c1)c1ccc(F)c(F)c1 ZINC000186452358 335158137 /nfs/dbraw/zinc/15/81/37/335158137.db2.gz AIPQDYRMGZWMAM-SCLBCKFNSA-N 1 1 302.368 4.636 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cncc(C)c1)c1ccc(F)c(F)c1 ZINC000186452388 335158145 /nfs/dbraw/zinc/15/81/45/335158145.db2.gz AIPQDYRMGZWMAM-UGSOOPFHSA-N 1 1 302.368 4.636 20 30 DJEDMO N#CCC[C@@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000271477725 334023477 /nfs/dbraw/zinc/02/34/77/334023477.db2.gz IGULEXKBQDKBKV-QZTJIDSGSA-N 1 1 312.363 4.587 20 30 DJEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000277879417 334091457 /nfs/dbraw/zinc/09/14/57/334091457.db2.gz ZDSTYMWRBORQLI-OAHLLOKOSA-N 1 1 318.486 4.505 20 30 DJEDMO CC[N@@H+](Cc1ccnc2ccccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000535081504 334365908 /nfs/dbraw/zinc/36/59/08/334365908.db2.gz ZZKWUODTLGNSNX-INIZCTEOSA-N 1 1 315.420 4.690 20 30 DJEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2o1 ZINC000443212342 338447676 /nfs/dbraw/zinc/44/76/76/338447676.db2.gz NMYOZHCNJGSFHW-CHWSQXEVSA-N 1 1 308.356 4.855 20 30 DJEDMO N#CCCC[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000542321383 335930543 /nfs/dbraw/zinc/93/05/43/335930543.db2.gz HZIVATGIHWWJCE-QGZVFWFLSA-N 1 1 319.235 4.976 20 30 DJEDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCc1ccc(C#N)cc1 ZINC000532744017 336269194 /nfs/dbraw/zinc/26/91/94/336269194.db2.gz CQLZWWZQOGJPPI-QGZVFWFLSA-N 1 1 319.452 4.858 20 30 DJEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1ccc(C#N)cc1 ZINC000532744017 336269195 /nfs/dbraw/zinc/26/91/95/336269195.db2.gz CQLZWWZQOGJPPI-QGZVFWFLSA-N 1 1 319.452 4.858 20 30 DJEDMO CCCc1csc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000426030522 338019861 /nfs/dbraw/zinc/01/98/61/338019861.db2.gz UMBWVLBSXBNQLN-CQSZACIVSA-N 1 1 313.470 4.550 20 30 DJEDMO CCCc1csc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000426030522 338019862 /nfs/dbraw/zinc/01/98/62/338019862.db2.gz UMBWVLBSXBNQLN-CQSZACIVSA-N 1 1 313.470 4.550 20 30 DJEDMO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)s1 ZINC000428364287 338048863 /nfs/dbraw/zinc/04/88/63/338048863.db2.gz SEMHTGXMHGMUDN-CYBMUJFWSA-N 1 1 308.809 4.653 20 30 DJEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000430197897 338100928 /nfs/dbraw/zinc/10/09/28/338100928.db2.gz WUTCKEBTWQGRSC-INIZCTEOSA-N 1 1 322.905 4.836 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432010192 338143659 /nfs/dbraw/zinc/14/36/59/338143659.db2.gz ALNHAKCSXRNEJP-KRWDZBQOSA-N 1 1 306.400 4.822 20 30 DJEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313871 338191558 /nfs/dbraw/zinc/19/15/58/338191558.db2.gz SHBNIQWYBPWUMB-MRXNPFEDSA-N 1 1 304.865 4.849 20 30 DJEDMO CC(C)[N@@H+](Cc1cc2c(cccc2F)[nH]1)Cc1ccc(C#N)cc1 ZINC000437574501 338313979 /nfs/dbraw/zinc/31/39/79/338313979.db2.gz COYZMMXFFUUICS-UHFFFAOYSA-N 1 1 321.399 4.589 20 30 DJEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)c(F)c1 ZINC000439431727 338369311 /nfs/dbraw/zinc/36/93/11/338369311.db2.gz ODZPEZUREXAUHE-UHFFFAOYSA-N 1 1 320.770 4.515 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1Cl ZINC000439463662 338370422 /nfs/dbraw/zinc/37/04/22/338370422.db2.gz SMMBQAGXBUFUGF-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO CC[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000447544541 338555871 /nfs/dbraw/zinc/55/58/71/338555871.db2.gz VZLZTHYCWCRJRH-KRWDZBQOSA-N 1 1 302.780 4.592 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccc(F)c(F)c1 ZINC000194962986 338785638 /nfs/dbraw/zinc/78/56/38/338785638.db2.gz RHGPESJYAQSCJB-SGTLLEGYSA-N 1 1 303.352 4.638 20 30 DJEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2cccc(Cl)c2F)CC1 ZINC000461102680 339059442 /nfs/dbraw/zinc/05/94/42/339059442.db2.gz POLNYOWJXRXOOK-KRWDZBQOSA-N 1 1 324.871 4.560 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000461399507 339063164 /nfs/dbraw/zinc/06/31/64/339063164.db2.gz GDXQXZBITLYTLX-UHFFFAOYSA-N 1 1 314.379 4.908 20 30 DJEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000462904055 339096995 /nfs/dbraw/zinc/09/69/95/339096995.db2.gz GTXFEDWELNBYCE-QGZVFWFLSA-N 1 1 316.404 4.915 20 30 DJEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCCSCC#N ZINC000466730408 339214520 /nfs/dbraw/zinc/21/45/20/339214520.db2.gz FCXZALUQHIYEBQ-MRXNPFEDSA-N 1 1 310.894 4.616 20 30 DJEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCCSCC#N ZINC000466730407 339214657 /nfs/dbraw/zinc/21/46/57/339214657.db2.gz FCXZALUQHIYEBQ-INIZCTEOSA-N 1 1 310.894 4.616 20 30 DJEDMO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCCSCC#N ZINC000466744134 339215393 /nfs/dbraw/zinc/21/53/93/339215393.db2.gz CIDQFMMYLGMADA-QGZVFWFLSA-N 1 1 324.493 4.993 20 30 DJEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000469518981 339292323 /nfs/dbraw/zinc/29/23/23/339292323.db2.gz MEUVWEZKLWMHRH-MRXNPFEDSA-N 1 1 310.363 4.926 20 30 DJEDMO CSc1ccccc1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000470993477 339334079 /nfs/dbraw/zinc/33/40/79/339334079.db2.gz CFSHHGDQMBXBSV-UHFFFAOYSA-N 1 1 324.493 4.842 20 30 DJEDMO CCOc1ccc(C[N@@H+](CCCC(C)(C)C#N)C(C)C)cc1 ZINC000472429939 339371744 /nfs/dbraw/zinc/37/17/44/339371744.db2.gz IZBZYZDLNLEXNW-UHFFFAOYSA-N 1 1 302.462 4.626 20 30 DJEDMO C=C(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000479416652 339534028 /nfs/dbraw/zinc/53/40/28/339534028.db2.gz ZEGHJCUDHCGTNH-KRWDZBQOSA-N 1 1 309.306 4.650 20 30 DJEDMO C=CCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499168980 340031593 /nfs/dbraw/zinc/03/15/93/340031593.db2.gz LXKTZTRYHGKAEE-WLRLJWMZSA-N 1 1 312.501 4.516 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)c1ccc(C#N)cc1 ZINC000503568239 340130929 /nfs/dbraw/zinc/13/09/29/340130929.db2.gz GNMAGYOOYIGUHF-OAHLLOKOSA-N 1 1 318.376 4.794 20 30 DJEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2Cl)CC2CC2)c1 ZINC000503673166 340133289 /nfs/dbraw/zinc/13/32/89/340133289.db2.gz LIFCBVSNXABKMJ-UHFFFAOYSA-N 1 1 310.828 4.624 20 30 DJEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(SC)c(OC)c1 ZINC000506018061 340183492 /nfs/dbraw/zinc/18/34/92/340183492.db2.gz XOKSIRVFOWXZJI-UHFFFAOYSA-N 1 1 319.495 4.667 20 30 DJEDMO C=CC[N@H+](Cc1cccs1)Cc1ccccc1OC(F)F ZINC000506095975 340185404 /nfs/dbraw/zinc/18/54/04/340185404.db2.gz YNIJWGOAOLDEKX-UHFFFAOYSA-N 1 1 309.381 4.538 20 30 DJEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccccc1OC(F)F ZINC000506095975 340185405 /nfs/dbraw/zinc/18/54/05/340185405.db2.gz YNIJWGOAOLDEKX-UHFFFAOYSA-N 1 1 309.381 4.538 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000506370413 340193408 /nfs/dbraw/zinc/19/34/08/340193408.db2.gz QCKGDNJFDGYFJS-UHFFFAOYSA-N 1 1 302.849 4.759 20 30 DJEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000507123337 340208382 /nfs/dbraw/zinc/20/83/82/340208382.db2.gz YVHJGMVQUXCDIY-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000507123337 340208383 /nfs/dbraw/zinc/20/83/83/340208383.db2.gz YVHJGMVQUXCDIY-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)s1 ZINC000507170219 340210919 /nfs/dbraw/zinc/21/09/19/340210919.db2.gz MIQGBDZUCVWXBO-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)s1 ZINC000507170219 340210920 /nfs/dbraw/zinc/21/09/20/340210920.db2.gz MIQGBDZUCVWXBO-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000507212061 340213844 /nfs/dbraw/zinc/21/38/44/340213844.db2.gz NTLXCCDGABUISL-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000507212061 340213845 /nfs/dbraw/zinc/21/38/45/340213845.db2.gz NTLXCCDGABUISL-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[N@H+](Cc1c(Cl)oc2ccccc21)Cc1ccc(C#N)cc1 ZINC000507212215 340213876 /nfs/dbraw/zinc/21/38/76/340213876.db2.gz OGRGFRMAYIIVJQ-UHFFFAOYSA-N 1 1 310.784 4.590 20 30 DJEDMO C[N@@H+](Cc1c(Cl)oc2ccccc21)Cc1ccc(C#N)cc1 ZINC000507212215 340213877 /nfs/dbraw/zinc/21/38/77/340213877.db2.gz OGRGFRMAYIIVJQ-UHFFFAOYSA-N 1 1 310.784 4.590 20 30 DJEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccs2)cc1OC ZINC000507433506 340219448 /nfs/dbraw/zinc/21/94/48/340219448.db2.gz LVWXBQMNBLJMBK-CQSZACIVSA-N 1 1 317.454 4.515 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000508580245 340246956 /nfs/dbraw/zinc/24/69/56/340246956.db2.gz DYKUMGMRPHALLM-INIZCTEOSA-N 1 1 308.425 4.540 20 30 DJEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1cc(Cl)cc(Cl)c1 ZINC000509564995 340273662 /nfs/dbraw/zinc/27/36/62/340273662.db2.gz RLSHWLBGBUSSTG-UHFFFAOYSA-N 1 1 311.237 4.559 20 30 DJEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1cc(Cl)cc(Cl)c1 ZINC000509564995 340273663 /nfs/dbraw/zinc/27/36/63/340273663.db2.gz RLSHWLBGBUSSTG-UHFFFAOYSA-N 1 1 311.237 4.559 20 30 DJEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2ccccc21 ZINC000512212137 340352492 /nfs/dbraw/zinc/35/24/92/340352492.db2.gz MTVDTVKRJRACRS-UHFFFAOYSA-N 1 1 321.420 4.503 20 30 DJEDMO C=C(C)C[N@H+](CCCc1ccsc1)Cc1cnn(C(C)C)c1 ZINC000512556722 340366684 /nfs/dbraw/zinc/36/66/84/340366684.db2.gz FZSJCMMCVPSSSN-UHFFFAOYSA-N 1 1 317.502 4.536 20 30 DJEDMO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cc(F)ccc1F ZINC000512650156 340370992 /nfs/dbraw/zinc/37/09/92/340370992.db2.gz XNSOOBDSBQMHNZ-ZMZPIMSZSA-N 1 1 318.342 4.777 20 30 DJEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404073808 340376870 /nfs/dbraw/zinc/37/68/70/340376870.db2.gz MOCATDTZYVVSGF-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 ZINC000187374532 340519405 /nfs/dbraw/zinc/51/94/05/340519405.db2.gz WYWQFDXVSJUVCL-GOSISDBHSA-N 1 1 321.342 4.520 20 30 DJEDMO N#Cc1ccc(C[NH+]2Cc3ccccc3-c3ccccc3C2)cc1 ZINC000303183512 340633582 /nfs/dbraw/zinc/63/35/82/340633582.db2.gz TYLOITJAYVUWOW-UHFFFAOYSA-N 1 1 310.400 4.741 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1c(F)cccc1Cl ZINC000540707430 340942442 /nfs/dbraw/zinc/94/24/42/340942442.db2.gz BEJVFRPEBBGWQZ-WDEREUQCSA-N 1 1 320.770 4.902 20 30 DJEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(CC#N)cc2)C2CC2)o1 ZINC000542210455 341000382 /nfs/dbraw/zinc/00/03/82/341000382.db2.gz SIXMORGJTPMURI-QRWLVFNGSA-N 1 1 320.436 4.634 20 30 DJEDMO N#CCC[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1 ZINC000130509350 341025280 /nfs/dbraw/zinc/02/52/80/341025280.db2.gz MCQFRQPDLXUYIJ-KRWDZBQOSA-N 1 1 311.454 4.545 20 30 DJEDMO N#CCc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000544069011 341069063 /nfs/dbraw/zinc/06/90/63/341069063.db2.gz CHFJYAPGBKJOJB-UHFFFAOYSA-N 1 1 316.404 4.548 20 30 DJEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000546579168 341173394 /nfs/dbraw/zinc/17/33/94/341173394.db2.gz IZMNTLWJTYXAFP-LBPRGKRZSA-N 1 1 304.846 4.850 20 30 DJEDMO C=C(C)[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(F)c(F)c1 ZINC000548475129 341262621 /nfs/dbraw/zinc/26/26/21/341262621.db2.gz PPZZUBPHQCPOMM-INIZCTEOSA-N 1 1 320.408 4.706 20 30 DJEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000551775677 341350918 /nfs/dbraw/zinc/35/09/18/341350918.db2.gz KIUNDSDCCLSWIO-UHFFFAOYSA-N 1 1 310.363 4.610 20 30 DJEDMO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000178795418 341965170 /nfs/dbraw/zinc/96/51/70/341965170.db2.gz HLKUCIUCVOYWPY-GOSISDBHSA-N 1 1 318.342 4.607 20 30 DJEDMO CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)c1cccc(C#N)c1 ZINC000442674524 335011765 /nfs/dbraw/zinc/01/17/65/335011765.db2.gz CSENBLRNQXCJIC-LBPRGKRZSA-N 1 1 304.846 4.856 20 30 DJEDMO C=CCC[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccco1 ZINC000287526776 335044450 /nfs/dbraw/zinc/04/44/50/335044450.db2.gz OTMOBRJAXXNDCI-HZPDHXFCSA-N 1 1 301.361 4.539 20 30 DJEDMO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665686 332092538 /nfs/dbraw/zinc/09/25/38/332092538.db2.gz UROXCASRTJTNIY-LPHOPBHVSA-N 1 1 308.425 4.699 20 30 DJEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000090665885 332092547 /nfs/dbraw/zinc/09/25/47/332092547.db2.gz DYBFEQBJPGHXTD-SCLBCKFNSA-N 1 1 300.352 4.660 20 30 DJEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000112540521 332314340 /nfs/dbraw/zinc/31/43/40/332314340.db2.gz MXMDMKTYIGCGGC-IAGOWNOFSA-N 1 1 319.408 4.573 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1c(F)cccc1SC)c1ccco1 ZINC000560574875 332363301 /nfs/dbraw/zinc/36/33/01/332363301.db2.gz QIFXVWYGJINRHX-OAHLLOKOSA-N 1 1 305.418 4.938 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000174808855 333091060 /nfs/dbraw/zinc/09/10/60/333091060.db2.gz PNOBKIQYQBWPOT-OAHLLOKOSA-N 1 1 313.470 4.763 20 30 DJEDMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185727628 333212916 /nfs/dbraw/zinc/21/29/16/333212916.db2.gz UIYCYZVCYARHMU-FUHWJXTLSA-N 1 1 322.456 4.549 20 30 DJEDMO CC[N@H+](Cc1nc2ccccc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593923 333267455 /nfs/dbraw/zinc/26/74/55/333267455.db2.gz MSJDJAYLDSEZRQ-AWEZNQCLSA-N 1 1 321.449 4.751 20 30 DJEDMO CC[N@@H+](Cc1nc2ccccc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593923 333267457 /nfs/dbraw/zinc/26/74/57/333267457.db2.gz MSJDJAYLDSEZRQ-AWEZNQCLSA-N 1 1 321.449 4.751 20 30 DJEDMO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)c1ccc(C#N)cc1 ZINC000390667315 333312988 /nfs/dbraw/zinc/31/29/88/333312988.db2.gz NBMWOMQKVNWYDF-CQSZACIVSA-N 1 1 319.433 4.533 20 30 DJEDMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000063068056 333397092 /nfs/dbraw/zinc/39/70/92/333397092.db2.gz VSSHPXCYFIRVDE-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000063068056 333397094 /nfs/dbraw/zinc/39/70/94/333397094.db2.gz VSSHPXCYFIRVDE-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000277879414 334091589 /nfs/dbraw/zinc/09/15/89/334091589.db2.gz ZDSTYMWRBORQLI-HNNXBMFYSA-N 1 1 318.486 4.505 20 30 DJEDMO CC[N@@H+](Cc1ccnc2ccccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000535081505 334366019 /nfs/dbraw/zinc/36/60/19/334366019.db2.gz ZZKWUODTLGNSNX-MRXNPFEDSA-N 1 1 315.420 4.690 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1cc(C)on1)c1ccc(C(F)(F)F)cc1 ZINC000342217249 334522126 /nfs/dbraw/zinc/52/21/26/334522126.db2.gz FPOCHESZDSPRQU-INIZCTEOSA-N 1 1 324.346 4.799 20 30 DJEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1cccc(C#N)c1 ZINC000192979578 336286474 /nfs/dbraw/zinc/28/64/74/336286474.db2.gz IRLWHVIZCRQIDC-INIZCTEOSA-N 1 1 305.425 4.640 20 30 DJEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)sc1C ZINC000352917334 336376901 /nfs/dbraw/zinc/37/69/01/336376901.db2.gz WGRCNTBFEWCREA-UHFFFAOYSA-N 1 1 317.502 4.721 20 30 DJEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)sc1C ZINC000352917334 336376902 /nfs/dbraw/zinc/37/69/02/336376902.db2.gz WGRCNTBFEWCREA-UHFFFAOYSA-N 1 1 317.502 4.721 20 30 DJEDMO C=CCC[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccco1 ZINC000375897653 337022546 /nfs/dbraw/zinc/02/25/46/337022546.db2.gz KCUFVAGSSGZJCB-HZPDHXFCSA-N 1 1 301.361 4.539 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000173904067 337138850 /nfs/dbraw/zinc/13/88/50/337138850.db2.gz JWERPTDZTZRENC-LSDHHAIUSA-N 1 1 317.392 4.625 20 30 DJEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000583151232 337246707 /nfs/dbraw/zinc/24/67/07/337246707.db2.gz PUQVYUVWGIBJEJ-MRXNPFEDSA-N 1 1 324.493 4.799 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)sc1Cl ZINC000151379522 338170254 /nfs/dbraw/zinc/17/02/54/338170254.db2.gz ZBWRAWPMSYKONI-VIFPVBQESA-N 1 1 311.237 4.777 20 30 DJEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000435281111 338236262 /nfs/dbraw/zinc/23/62/62/338236262.db2.gz VOKKZMZZQMKCCF-QGZVFWFLSA-N 1 1 302.418 4.588 20 30 DJEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+](CCC#N)Cc2ccco2)C1 ZINC000437595519 338315635 /nfs/dbraw/zinc/31/56/35/338315635.db2.gz YYGYXGJVIYKVHC-QUCCMNQESA-N 1 1 308.425 4.506 20 30 DJEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+](CCC#N)Cc2ccco2)C1 ZINC000437595519 338315636 /nfs/dbraw/zinc/31/56/36/338315636.db2.gz YYGYXGJVIYKVHC-QUCCMNQESA-N 1 1 308.425 4.506 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 ZINC000439456378 338370126 /nfs/dbraw/zinc/37/01/26/338370126.db2.gz YITPKFXZHMFBOK-GFCCVEGCSA-N 1 1 310.784 4.809 20 30 DJEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101165 339105816 /nfs/dbraw/zinc/10/58/16/339105816.db2.gz CWUYSFBVLYNCGP-MYGLTJDJSA-N 1 1 316.448 4.562 20 30 DJEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000467298318 339230324 /nfs/dbraw/zinc/23/03/24/339230324.db2.gz MZQMYZNTMPLZRQ-ZDUSSCGKSA-N 1 1 304.821 4.872 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1F ZINC000467377396 339235359 /nfs/dbraw/zinc/23/53/59/339235359.db2.gz NMYOZHCNJGSFHW-OLZOCXBDSA-N 1 1 308.356 4.855 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000472428203 339371602 /nfs/dbraw/zinc/37/16/02/339371602.db2.gz FUMBWYXQCWUMFF-CQSZACIVSA-N 1 1 322.855 4.816 20 30 DJEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@H](C)c1ccccc1OC ZINC000472448393 339372097 /nfs/dbraw/zinc/37/20/97/339372097.db2.gz HLHBYJAGKQBNQK-MRXNPFEDSA-N 1 1 302.462 4.798 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000472453247 339372258 /nfs/dbraw/zinc/37/22/58/339372258.db2.gz YZMZJPKDYWXNHG-UHFFFAOYSA-N 1 1 324.390 5.000 20 30 DJEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000491583500 339867896 /nfs/dbraw/zinc/86/78/96/339867896.db2.gz KFSDOAWHUYYHCR-UHFFFAOYSA-N 1 1 311.400 4.558 20 30 DJEDMO C=CCCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499168979 340031659 /nfs/dbraw/zinc/03/16/59/340031659.db2.gz LXKTZTRYHGKAEE-WJMWBRGCSA-N 1 1 312.501 4.516 20 30 DJEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000502953183 340117514 /nfs/dbraw/zinc/11/75/14/340117514.db2.gz PQFSUHVSLLTFTA-IBGZPJMESA-N 1 1 302.437 4.586 20 30 DJEDMO CC[N@@H+](C/C(C)=C\c1ccccc1C(F)(F)F)C[C@H](C)C#N ZINC000503953583 340138598 /nfs/dbraw/zinc/13/85/98/340138598.db2.gz PLUQUIILAAFPIA-RNQWEJQRSA-N 1 1 310.363 4.590 20 30 DJEDMO CC[N@H+](C/C(C)=C\c1ccccc1C(F)(F)F)C[C@H](C)C#N ZINC000503953583 340138599 /nfs/dbraw/zinc/13/85/99/340138599.db2.gz PLUQUIILAAFPIA-RNQWEJQRSA-N 1 1 310.363 4.590 20 30 DJEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@H](C)c1ccc(F)cc1 ZINC000505777265 340177581 /nfs/dbraw/zinc/17/75/81/340177581.db2.gz NYTRVKLDNLZOQQ-OAHLLOKOSA-N 1 1 321.399 4.533 20 30 DJEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](C)c1ccc(F)cc1 ZINC000505777265 340177582 /nfs/dbraw/zinc/17/75/82/340177582.db2.gz NYTRVKLDNLZOQQ-OAHLLOKOSA-N 1 1 321.399 4.533 20 30 DJEDMO CC[N@H+](CCSc1cc(Cl)ccc1Cl)C[C@H](C)C#N ZINC000506062113 340184706 /nfs/dbraw/zinc/18/47/06/340184706.db2.gz VWMKIEYEZHESAX-LLVKDONJSA-N 1 1 317.285 4.567 20 30 DJEDMO CC[N@@H+](CCSc1cc(Cl)ccc1Cl)C[C@H](C)C#N ZINC000506062113 340184707 /nfs/dbraw/zinc/18/47/07/340184707.db2.gz VWMKIEYEZHESAX-LLVKDONJSA-N 1 1 317.285 4.567 20 30 DJEDMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000506126572 340186227 /nfs/dbraw/zinc/18/62/27/340186227.db2.gz UABUXXXONPQZHJ-UHFFFAOYSA-N 1 1 310.422 4.560 20 30 DJEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCCCCC1 ZINC000506140991 340186590 /nfs/dbraw/zinc/18/65/90/340186590.db2.gz NBEMENJSBXWJES-UHFFFAOYSA-N 1 1 300.446 4.524 20 30 DJEDMO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000506553865 340196582 /nfs/dbraw/zinc/19/65/82/340196582.db2.gz DJONHBLFFOIHSH-SJKOYZFVSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000506553865 340196583 /nfs/dbraw/zinc/19/65/83/340196583.db2.gz DJONHBLFFOIHSH-SJKOYZFVSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000506565073 340196854 /nfs/dbraw/zinc/19/68/54/340196854.db2.gz WXDWUFSLOCIDOQ-PXAZEXFGSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000506565073 340196855 /nfs/dbraw/zinc/19/68/55/340196855.db2.gz WXDWUFSLOCIDOQ-PXAZEXFGSA-N 1 1 312.438 4.501 20 30 DJEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1C ZINC000507112416 340207759 /nfs/dbraw/zinc/20/77/59/340207759.db2.gz VHSYFSNBWZSDFW-UHFFFAOYSA-N 1 1 322.452 4.700 20 30 DJEDMO CC[N@@H+](Cc1ccccc1Br)CC(C)(C)CCC#N ZINC000507120122 340208272 /nfs/dbraw/zinc/20/82/72/340208272.db2.gz KBBXPIQHDCGTPJ-UHFFFAOYSA-N 1 1 323.278 4.601 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)s1 ZINC000507166634 340210436 /nfs/dbraw/zinc/21/04/36/340210436.db2.gz FHVPAIBABYLYEE-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)s1 ZINC000507166634 340210437 /nfs/dbraw/zinc/21/04/37/340210437.db2.gz FHVPAIBABYLYEE-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000507172005 340211080 /nfs/dbraw/zinc/21/10/80/340211080.db2.gz YMXAVTXOQDDDNM-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000507172005 340211081 /nfs/dbraw/zinc/21/10/81/340211081.db2.gz YMXAVTXOQDDDNM-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000507195716 340212569 /nfs/dbraw/zinc/21/25/69/340212569.db2.gz VLFAQBGZWGJXBG-SFHVURJKSA-N 1 1 322.452 4.871 20 30 DJEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000507205358 340213309 /nfs/dbraw/zinc/21/33/09/340213309.db2.gz VZBONPUHWRESOA-CYBMUJFWSA-N 1 1 318.342 4.770 20 30 DJEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1ccc(C#N)cc1F ZINC000507305931 340216889 /nfs/dbraw/zinc/21/68/89/340216889.db2.gz PJNOQYDINCYDPR-UHFFFAOYSA-N 1 1 318.395 4.525 20 30 DJEDMO C[N@H+](Cc1ccc(Oc2ccccc2)o1)Cc1cccc(C#N)c1 ZINC000507621531 340226675 /nfs/dbraw/zinc/22/66/75/340226675.db2.gz OTVHRZYEUYNRRX-UHFFFAOYSA-N 1 1 318.376 4.576 20 30 DJEDMO C[N@@H+](Cc1ccc(Oc2ccccc2)o1)Cc1cccc(C#N)c1 ZINC000507621531 340226676 /nfs/dbraw/zinc/22/66/76/340226676.db2.gz OTVHRZYEUYNRRX-UHFFFAOYSA-N 1 1 318.376 4.576 20 30 DJEDMO CCOc1ccc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000507689875 340228315 /nfs/dbraw/zinc/22/83/15/340228315.db2.gz UZOHVRDJHBHASU-MRXNPFEDSA-N 1 1 308.425 4.540 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000508727663 340251653 /nfs/dbraw/zinc/25/16/53/340251653.db2.gz UBFGYHFSZFJMMG-UHFFFAOYSA-N 1 1 316.464 4.943 20 30 DJEDMO Cc1ccc2c(C3=CC[N@@H+](CC(C)(C)CCC#N)CC3)c[nH]c2c1 ZINC000509547286 340273030 /nfs/dbraw/zinc/27/30/30/340273030.db2.gz XXCSSXOHLHWQAD-UHFFFAOYSA-N 1 1 321.468 4.895 20 30 DJEDMO CC[N@@H+](Cc1ccc(-c2ccccc2F)s1)C[C@@H](C)C#N ZINC000509820904 340280521 /nfs/dbraw/zinc/28/05/21/340280521.db2.gz SEEIECYAIXFEDT-ZDUSSCGKSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(-c2ccccc2F)s1)C[C@@H](C)C#N ZINC000509820904 340280522 /nfs/dbraw/zinc/28/05/22/340280522.db2.gz SEEIECYAIXFEDT-ZDUSSCGKSA-N 1 1 302.418 4.536 20 30 DJEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(C)nc2ccccc12 ZINC000510247429 340294113 /nfs/dbraw/zinc/29/41/13/340294113.db2.gz XNFPMPFTVBPXDQ-UHFFFAOYSA-N 1 1 308.450 4.793 20 30 DJEDMO CC(C)([NH2+]Cc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000303152291 340306358 /nfs/dbraw/zinc/30/63/58/340306358.db2.gz SVVPSHXVKGKGRZ-UHFFFAOYSA-N 1 1 319.235 4.890 20 30 DJEDMO CSc1ccccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000511116058 340321333 /nfs/dbraw/zinc/32/13/33/340321333.db2.gz PQHWNUSFUVRNSJ-RTBURBONSA-N 1 1 322.477 4.680 20 30 DJEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000511471671 340327878 /nfs/dbraw/zinc/32/78/78/340327878.db2.gz JOQADPWMNMGVTO-FQEVSTJZSA-N 1 1 312.457 4.524 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)c1cc2ccccc2o1 ZINC000511894093 340342053 /nfs/dbraw/zinc/34/20/53/340342053.db2.gz QLQCMWHUOZSHHK-CYBMUJFWSA-N 1 1 310.422 4.949 20 30 DJEDMO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641089 340370432 /nfs/dbraw/zinc/37/04/32/340370432.db2.gz DDBKVPJCWSNMJX-ZMZPIMSZSA-N 1 1 318.342 4.777 20 30 DJEDMO Cc1c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)oc2ccccc12 ZINC000512655309 340371278 /nfs/dbraw/zinc/37/12/78/340371278.db2.gz SWMIEKMQMSASKE-ZDUSSCGKSA-N 1 1 308.356 4.603 20 30 DJEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000174811648 340396548 /nfs/dbraw/zinc/39/65/48/340396548.db2.gz TUBWLWNPGHZUIV-SFHVURJKSA-N 1 1 300.446 4.552 20 30 DJEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819661 340396627 /nfs/dbraw/zinc/39/66/27/340396627.db2.gz ZVUSMHWZZPHPQN-YOEHRIQHSA-N 1 1 300.446 4.697 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1nc2ccc(F)cc2o1)c1ccccc1 ZINC000539359546 340882542 /nfs/dbraw/zinc/88/25/42/340882542.db2.gz NBTXDJNQMPURFO-INIZCTEOSA-N 1 1 310.372 4.764 20 30 DJEDMO C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000540709080 340942630 /nfs/dbraw/zinc/94/26/30/340942630.db2.gz IUMSTNUMRJMOJH-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO Cc1cc([C@H]([NH2+]CCCC#N)c2ccccc2Cl)ccc1F ZINC000542498788 341010585 /nfs/dbraw/zinc/01/05/85/341010585.db2.gz MHLFSPAOZFZFIC-SFHVURJKSA-N 1 1 316.807 4.770 20 30 DJEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000542694002 341017605 /nfs/dbraw/zinc/01/76/05/341017605.db2.gz IUIJYSNVHMSGNW-NSHDSACASA-N 1 1 324.371 4.683 20 30 DJEDMO N#CCc1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000543138863 341033617 /nfs/dbraw/zinc/03/36/17/341033617.db2.gz MDAWDOCFHMWLDB-UHFFFAOYSA-N 1 1 322.433 4.610 20 30 DJEDMO N#CCc1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000543138863 341033618 /nfs/dbraw/zinc/03/36/18/341033618.db2.gz MDAWDOCFHMWLDB-UHFFFAOYSA-N 1 1 322.433 4.610 20 30 DJEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(CC#N)cc1 ZINC000543138721 341033749 /nfs/dbraw/zinc/03/37/49/341033749.db2.gz LPRDGRUPUVPBQH-UHFFFAOYSA-N 1 1 316.857 4.656 20 30 DJEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(CC#N)cc1 ZINC000543138721 341033750 /nfs/dbraw/zinc/03/37/50/341033750.db2.gz LPRDGRUPUVPBQH-UHFFFAOYSA-N 1 1 316.857 4.656 20 30 DJEDMO C[N@@H+](Cc1csc2ccccc12)Cc1ccc(CC#N)cc1 ZINC000544070188 341069122 /nfs/dbraw/zinc/06/91/22/341069122.db2.gz JPTDCSVMCCAKDM-UHFFFAOYSA-N 1 1 306.434 4.599 20 30 DJEDMO N#CCc1ccc(C[N@@H+](Cc2ccoc2)C2CCCCC2)cc1 ZINC000544145810 341072187 /nfs/dbraw/zinc/07/21/87/341072187.db2.gz NBZCYUXKRIDLKL-UHFFFAOYSA-N 1 1 308.425 4.681 20 30 DJEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C)c1cccc(O)c1 ZINC000135242985 341234199 /nfs/dbraw/zinc/23/41/99/341234199.db2.gz VLLSFIUCIDIHHP-MRXNPFEDSA-N 1 1 322.452 4.776 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c(F)c1 ZINC000548934798 341281502 /nfs/dbraw/zinc/28/15/02/341281502.db2.gz SSMCWIWNUNAYSZ-ACDBMABISA-N 1 1 320.411 4.608 20 30 DJEDMO C=CC[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000551556770 341345110 /nfs/dbraw/zinc/34/51/10/341345110.db2.gz VVTBQFSEDZKMBY-UHFFFAOYSA-N 1 1 304.846 4.614 20 30 DJEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+](C)CC(C)(C)C#N ZINC000552084875 341368193 /nfs/dbraw/zinc/36/81/93/341368193.db2.gz CNTKVKKXPCRZGE-MDWZMJQESA-N 1 1 310.363 4.590 20 30 DJEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](C)CC(C)(C)C#N ZINC000552084875 341368194 /nfs/dbraw/zinc/36/81/94/341368194.db2.gz CNTKVKKXPCRZGE-MDWZMJQESA-N 1 1 310.363 4.590 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)s1 ZINC000552216458 341378836 /nfs/dbraw/zinc/37/88/36/341378836.db2.gz NWYALIJQIGNIOM-IBGZPJMESA-N 1 1 321.449 4.828 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)s1 ZINC000552216458 341378837 /nfs/dbraw/zinc/37/88/37/341378837.db2.gz NWYALIJQIGNIOM-IBGZPJMESA-N 1 1 321.449 4.828 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccco1 ZINC000552275337 341383097 /nfs/dbraw/zinc/38/30/97/341383097.db2.gz SBCQRVGKKGMMAP-INIZCTEOSA-N 1 1 314.429 4.649 20 30 DJEDMO CC[C@H](C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000554972036 341470987 /nfs/dbraw/zinc/47/09/87/341470987.db2.gz UFDRYFWBYVYXRF-ZBEGNZNMSA-N 1 1 319.861 4.545 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cc(C)ccn1)c1ccc(F)c(F)c1 ZINC000286215864 335030456 /nfs/dbraw/zinc/03/04/56/335030456.db2.gz SBNRPVSLSLKYPX-FZKQIMNGSA-N 1 1 302.368 4.636 20 30 DJEDMO C=CCC[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccco1 ZINC000287421677 335046139 /nfs/dbraw/zinc/04/61/39/335046139.db2.gz KCUFVAGSSGZJCB-JKSUJKDBSA-N 1 1 301.361 4.539 20 30 DJEDMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000175026231 332873691 /nfs/dbraw/zinc/87/36/91/332873691.db2.gz UKPKMSAFAFOSHK-RYUDHWBXSA-N 1 1 302.780 4.763 20 30 DJEDMO N#C[C@@H]1CCC[C@H]([NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000447601437 331546443 /nfs/dbraw/zinc/54/64/43/331546443.db2.gz QBUGMVHWEBDHNN-NEPJUHHUSA-N 1 1 309.240 4.654 20 30 DJEDMO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117540 332083082 /nfs/dbraw/zinc/08/30/82/332083082.db2.gz PJHHZCDRBVJTRW-ZDUSSCGKSA-N 1 1 308.356 4.603 20 30 DJEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000090665886 332092423 /nfs/dbraw/zinc/09/24/23/332092423.db2.gz DYBFEQBJPGHXTD-FZKQIMNGSA-N 1 1 300.352 4.660 20 30 DJEDMO CC[N@@H+](Cc1ccc(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000569507085 332112450 /nfs/dbraw/zinc/11/24/50/332112450.db2.gz GGARDRLFIJXNTH-KRWDZBQOSA-N 1 1 321.468 4.968 20 30 DJEDMO CCOc1ccccc1C1=CC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000092644421 332137076 /nfs/dbraw/zinc/13/70/76/332137076.db2.gz NKRJMOFMEAQTLE-UHFFFAOYSA-N 1 1 312.457 4.504 20 30 DJEDMO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(F)ccc1F ZINC000560267343 332325765 /nfs/dbraw/zinc/32/57/65/332325765.db2.gz YAGWXZOFRCIZKR-GOSISDBHSA-N 1 1 312.363 4.566 20 30 DJEDMO CCC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000569920019 332692962 /nfs/dbraw/zinc/69/29/62/332692962.db2.gz CDVMTFXHIHGGIK-LRDDRELGSA-N 1 1 324.255 4.868 20 30 DJEDMO CCC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000569920020 332693140 /nfs/dbraw/zinc/69/31/40/332693140.db2.gz CDVMTFXHIHGGIK-MLGOLLRUSA-N 1 1 324.255 4.868 20 30 DJEDMO C[C@@H](c1ccccc1)[N@@H+](CCCCC#N)Cc1ccccc1O ZINC000176680848 333117796 /nfs/dbraw/zinc/11/77/96/333117796.db2.gz WVUHRFKUUFXPNQ-KRWDZBQOSA-N 1 1 308.425 4.649 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1Cl ZINC000021018443 333412308 /nfs/dbraw/zinc/41/23/08/333412308.db2.gz PTDQWKQAONFRJP-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cncc(C)c1)c1ccc(F)c(F)c1 ZINC000186452345 335158155 /nfs/dbraw/zinc/15/81/55/335158155.db2.gz AIPQDYRMGZWMAM-FZKQIMNGSA-N 1 1 302.368 4.636 20 30 DJEDMO N#Cc1cccc(C[NH2+]C(c2ccccc2)c2ccccc2)c1F ZINC000327092861 335745030 /nfs/dbraw/zinc/74/50/30/335745030.db2.gz JVROKZLEOFYOBQ-UHFFFAOYSA-N 1 1 316.379 4.577 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1Cl ZINC000192079958 336017108 /nfs/dbraw/zinc/01/71/08/336017108.db2.gz HTLFUPUDQPIYIO-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000582871895 337209474 /nfs/dbraw/zinc/20/94/74/337209474.db2.gz NVADQUFBNKTNJQ-MAUPQMMJSA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000582871895 337209475 /nfs/dbraw/zinc/20/94/75/337209475.db2.gz NVADQUFBNKTNJQ-MAUPQMMJSA-N 1 1 322.374 4.733 20 30 DJEDMO CC(C)[N@@H+](CCCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000582937057 337219502 /nfs/dbraw/zinc/21/95/02/337219502.db2.gz KIQXJBZKWOXAIE-UHFFFAOYSA-N 1 1 322.452 4.628 20 30 DJEDMO N#Cc1ccccc1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000031945811 337734845 /nfs/dbraw/zinc/73/48/45/337734845.db2.gz QBXFYZUSQJVUBH-UHFFFAOYSA-N 1 1 312.416 4.761 20 30 DJEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000121560472 337895427 /nfs/dbraw/zinc/89/54/27/337895427.db2.gz LUQUNKIVACKPRP-MRXNPFEDSA-N 1 1 305.425 4.640 20 30 DJEDMO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428309708 338046623 /nfs/dbraw/zinc/04/66/23/338046623.db2.gz MVSDIJWLOAKQPG-QGZVFWFLSA-N 1 1 302.780 4.592 20 30 DJEDMO CC(C)(C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(F)c1 ZINC000428352576 338048598 /nfs/dbraw/zinc/04/85/98/338048598.db2.gz QZBLFVPXYZJHSW-GOSISDBHSA-N 1 1 314.379 4.713 20 30 DJEDMO CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000437579073 338314395 /nfs/dbraw/zinc/31/43/95/338314395.db2.gz NHBOEQJWNIWYBY-CQSZACIVSA-N 1 1 321.399 4.762 20 30 DJEDMO C[C@]1(c2ccccc2)CC[C@H]([N@H+](CCC#N)Cc2ccco2)C1 ZINC000437595517 338315659 /nfs/dbraw/zinc/31/56/59/338315659.db2.gz YYGYXGJVIYKVHC-ICSRJNTNSA-N 1 1 308.425 4.506 20 30 DJEDMO C[C@]1(c2ccccc2)CC[C@H]([N@@H+](CCC#N)Cc2ccco2)C1 ZINC000437595517 338315660 /nfs/dbraw/zinc/31/56/60/338315660.db2.gz YYGYXGJVIYKVHC-ICSRJNTNSA-N 1 1 308.425 4.506 20 30 DJEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000439447940 338369787 /nfs/dbraw/zinc/36/97/87/338369787.db2.gz GEPBYXKYBSGTCX-UHFFFAOYSA-N 1 1 317.219 4.644 20 30 DJEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101164 339105838 /nfs/dbraw/zinc/10/58/38/339105838.db2.gz CWUYSFBVLYNCGP-KJJMTIBFSA-N 1 1 316.448 4.562 20 30 DJEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463190357 339108656 /nfs/dbraw/zinc/10/86/56/339108656.db2.gz CRSUFVRZEOPEFP-SFTDATJTSA-N 1 1 323.484 4.646 20 30 DJEDMO C[C@@H](c1ccccc1)[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000463222084 339110237 /nfs/dbraw/zinc/11/02/37/339110237.db2.gz HFBFKXABJCNWTM-SFHVURJKSA-N 1 1 324.493 4.897 20 30 DJEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463304845 339114283 /nfs/dbraw/zinc/11/42/83/339114283.db2.gz WRQPHKXOLQCJCE-POAQFYNOSA-N 1 1 311.473 4.555 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760413 339151508 /nfs/dbraw/zinc/15/15/08/339151508.db2.gz GZKRNSGMGHBDCY-WMZOPIPTSA-N 1 1 322.477 4.733 20 30 DJEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000464839183 339156524 /nfs/dbraw/zinc/15/65/24/339156524.db2.gz PDOXXODOVQAVAA-FZKQIMNGSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000464839183 339156525 /nfs/dbraw/zinc/15/65/25/339156525.db2.gz PDOXXODOVQAVAA-FZKQIMNGSA-N 1 1 312.388 4.572 20 30 DJEDMO N#CCSCCC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000466726743 339214441 /nfs/dbraw/zinc/21/44/41/339214441.db2.gz DFCOFLYLNKCQLS-UHFFFAOYSA-N 1 1 322.477 4.576 20 30 DJEDMO N#CCCCC[N@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466953978 339222587 /nfs/dbraw/zinc/22/25/87/339222587.db2.gz YRCDCSZVCGSDHM-MRXNPFEDSA-N 1 1 312.482 4.850 20 30 DJEDMO N#CCCCC[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000469518980 339292385 /nfs/dbraw/zinc/29/23/85/339292385.db2.gz MEUVWEZKLWMHRH-INIZCTEOSA-N 1 1 310.363 4.926 20 30 DJEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000470777644 339327570 /nfs/dbraw/zinc/32/75/70/339327570.db2.gz YRYUJYPJZNPZBS-UHFFFAOYSA-N 1 1 324.374 4.785 20 30 DJEDMO CC#CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000471182131 339339662 /nfs/dbraw/zinc/33/96/62/339339662.db2.gz PVLMUGYZPDCSLW-QGZVFWFLSA-N 1 1 308.425 4.625 20 30 DJEDMO CC#CC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000471182131 339339663 /nfs/dbraw/zinc/33/96/63/339339663.db2.gz PVLMUGYZPDCSLW-QGZVFWFLSA-N 1 1 308.425 4.625 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000479405519 339533434 /nfs/dbraw/zinc/53/34/34/339533434.db2.gz DPNAQALSRXCRKO-QGZVFWFLSA-N 1 1 309.306 4.650 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000480676844 339583016 /nfs/dbraw/zinc/58/30/16/339583016.db2.gz OWDSVGXJTYJMTM-APPDUMDISA-N 1 1 322.786 4.981 20 30 DJEDMO Cc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)s1 ZINC000502545513 340107301 /nfs/dbraw/zinc/10/73/01/340107301.db2.gz VOQBUKPWWGQAFM-UHFFFAOYSA-N 1 1 308.450 4.526 20 30 DJEDMO Cc1cc(NCC(C)(C)CCC#N)c[nH+]c1N1CCCC[C@H]1C ZINC000503889995 340135931 /nfs/dbraw/zinc/13/59/31/340135931.db2.gz FPHBXMVCANFTJJ-MRXNPFEDSA-N 1 1 314.477 4.511 20 30 DJEDMO CC[N@@H+](C/C(C)=C/c1ccccc1C(F)(F)F)C[C@@H](C)C#N ZINC000503953584 340138525 /nfs/dbraw/zinc/13/85/25/340138525.db2.gz PLUQUIILAAFPIA-SSUFTNFISA-N 1 1 310.363 4.590 20 30 DJEDMO CC[N@H+](C/C(C)=C/c1ccccc1C(F)(F)F)C[C@@H](C)C#N ZINC000503953584 340138526 /nfs/dbraw/zinc/13/85/26/340138526.db2.gz PLUQUIILAAFPIA-SSUFTNFISA-N 1 1 310.363 4.590 20 30 DJEDMO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000506553866 340196702 /nfs/dbraw/zinc/19/67/02/340196702.db2.gz DJONHBLFFOIHSH-YVEFUNNKSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000506553866 340196703 /nfs/dbraw/zinc/19/67/03/340196703.db2.gz DJONHBLFFOIHSH-YVEFUNNKSA-N 1 1 312.438 4.501 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000507166635 340210493 /nfs/dbraw/zinc/21/04/93/340210493.db2.gz FHVPAIBABYLYEE-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000507166635 340210494 /nfs/dbraw/zinc/21/04/94/340210494.db2.gz FHVPAIBABYLYEE-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000507206934 340213436 /nfs/dbraw/zinc/21/34/36/340213436.db2.gz ASJOBRNAQOFYAH-NSHDSACASA-N 1 1 324.371 4.832 20 30 DJEDMO CCC(CC)[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000507328793 340217303 /nfs/dbraw/zinc/21/73/03/340217303.db2.gz UVGMFZQBCSSXSH-UHFFFAOYSA-N 1 1 317.436 4.621 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000507735571 340229836 /nfs/dbraw/zinc/22/98/36/340229836.db2.gz RKDSRUKMNHUWGB-UHFFFAOYSA-N 1 1 302.849 4.759 20 30 DJEDMO N#Cc1csc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000508009073 340237263 /nfs/dbraw/zinc/23/72/63/340237263.db2.gz NHVSRSDWCDCYTL-IBGZPJMESA-N 1 1 308.450 4.662 20 30 DJEDMO CC[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508604498 340247853 /nfs/dbraw/zinc/24/78/53/340247853.db2.gz NEQXXZYNXHLJRR-LBPRGKRZSA-N 1 1 318.342 4.559 20 30 DJEDMO C=C(C)C[N@@H+](CC)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000509048268 340259423 /nfs/dbraw/zinc/25/94/23/340259423.db2.gz DPKRYLWAYJWKDI-UHFFFAOYSA-N 1 1 320.889 4.785 20 30 DJEDMO C=C(C)C[N@H+](CC)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000509048268 340259424 /nfs/dbraw/zinc/25/94/24/340259424.db2.gz DPKRYLWAYJWKDI-UHFFFAOYSA-N 1 1 320.889 4.785 20 30 DJEDMO CC[N@@H+](Cc1ccc(-c2ccccc2F)s1)C[C@H](C)C#N ZINC000509820903 340280369 /nfs/dbraw/zinc/28/03/69/340280369.db2.gz SEEIECYAIXFEDT-CYBMUJFWSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(-c2ccccc2F)s1)C[C@H](C)C#N ZINC000509820903 340280370 /nfs/dbraw/zinc/28/03/70/340280370.db2.gz SEEIECYAIXFEDT-CYBMUJFWSA-N 1 1 302.418 4.536 20 30 DJEDMO N#CCCCC[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511217196 340323994 /nfs/dbraw/zinc/32/39/94/340323994.db2.gz OUULGRCJSWBBTD-UHFFFAOYSA-N 1 1 309.240 4.776 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)c1cc2ccccc2o1 ZINC000511894096 340342019 /nfs/dbraw/zinc/34/20/19/340342019.db2.gz QLQCMWHUOZSHHK-ZDUSSCGKSA-N 1 1 310.422 4.949 20 30 DJEDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000512449688 340362387 /nfs/dbraw/zinc/36/23/87/340362387.db2.gz KDBJUNGCZBUTJH-CYBMUJFWSA-N 1 1 308.356 4.637 20 30 DJEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000512449688 340362388 /nfs/dbraw/zinc/36/23/88/340362388.db2.gz KDBJUNGCZBUTJH-CYBMUJFWSA-N 1 1 308.356 4.637 20 30 DJEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccc(F)cc1 ZINC000512507009 340364641 /nfs/dbraw/zinc/36/46/41/340364641.db2.gz SWQNXNVVDJUMNB-MRXNPFEDSA-N 1 1 315.436 4.742 20 30 DJEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc2ccccc2o1 ZINC000512506876 340364693 /nfs/dbraw/zinc/36/46/93/340364693.db2.gz RBHZRRBIZSAMTO-UHFFFAOYSA-N 1 1 323.440 4.789 20 30 DJEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc2ccccc2o1 ZINC000512506876 340364694 /nfs/dbraw/zinc/36/46/94/340364694.db2.gz RBHZRRBIZSAMTO-UHFFFAOYSA-N 1 1 323.440 4.789 20 30 DJEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cccc(F)c1 ZINC000512531858 340365715 /nfs/dbraw/zinc/36/57/15/340365715.db2.gz KDEYVPIMJMGXEB-INIZCTEOSA-N 1 1 315.436 4.742 20 30 DJEDMO C=C(C)C[N@H+](CCCCC(C)(C)C#N)Cc1cnn(C(C)C)c1 ZINC000512556887 340366692 /nfs/dbraw/zinc/36/66/92/340366692.db2.gz ICELCSYVCGUFHX-UHFFFAOYSA-N 1 1 316.493 4.562 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512628987 340369920 /nfs/dbraw/zinc/36/99/20/340369920.db2.gz HHJMXCGMSUXLGC-WDEREUQCSA-N 1 1 320.770 4.902 20 30 DJEDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cc(F)ccc1F ZINC000512650154 340370908 /nfs/dbraw/zinc/37/09/08/340370908.db2.gz XNSOOBDSBQMHNZ-BBATYDOGSA-N 1 1 318.342 4.777 20 30 DJEDMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512653438 340371095 /nfs/dbraw/zinc/37/10/95/340371095.db2.gz FHZHWPMWAYJGJQ-RYUDHWBXSA-N 1 1 302.780 4.763 20 30 DJEDMO CC(C)(C)[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(F)cc1 ZINC000513028181 340389263 /nfs/dbraw/zinc/38/92/63/340389263.db2.gz WITCVQVYKFOHGC-UHFFFAOYSA-N 1 1 302.418 4.560 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(Cl)ccc1Cl ZINC000177861295 340444551 /nfs/dbraw/zinc/44/45/51/340444551.db2.gz ZMUNBTJERHDVMR-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(Cl)c1Cl ZINC000192157669 340563513 /nfs/dbraw/zinc/56/35/13/340563513.db2.gz OVCRVGBNTJHKBP-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000539493279 340886857 /nfs/dbraw/zinc/88/68/57/340886857.db2.gz QWTFYJRKUQBVBI-CQSZACIVSA-N 1 1 310.372 4.572 20 30 DJEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211546 341000323 /nfs/dbraw/zinc/00/03/23/341000323.db2.gz CVVHQLAUNCUNAA-OAHLLOKOSA-N 1 1 304.393 4.692 20 30 DJEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCCSCC#N)C1CC1 ZINC000072515138 341088662 /nfs/dbraw/zinc/08/86/62/341088662.db2.gz YSBPGYAPZYUMKD-ZDUSSCGKSA-N 1 1 308.878 4.512 20 30 DJEDMO C[C@H](c1ccccc1Cl)[N@@H+](CCCSCC#N)C1CC1 ZINC000074990086 341159088 /nfs/dbraw/zinc/15/90/88/341159088.db2.gz GSJSWBDZSQQCHX-CYBMUJFWSA-N 1 1 308.878 4.512 20 30 DJEDMO C[C@H]1CC[N@@H+](CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135395516 341238617 /nfs/dbraw/zinc/23/86/17/341238617.db2.gz CENSYJJSNSWARZ-BBRMVZONSA-N 1 1 310.363 4.782 20 30 DJEDMO Cc1nc(C(C)C)ccc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000549398924 341293146 /nfs/dbraw/zinc/29/31/46/341293146.db2.gz XTJCIGXSTTVUDO-UHFFFAOYSA-N 1 1 321.468 4.796 20 30 DJEDMO N#Cc1cccc(C2([NH2+]Cc3cccc(Cl)c3Cl)CC2)c1 ZINC000551580928 341346349 /nfs/dbraw/zinc/34/63/49/341346349.db2.gz JNUGDQLYIHPBMC-UHFFFAOYSA-N 1 1 317.219 4.644 20 30 DJEDMO C=CCC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccco1 ZINC000552250064 341381271 /nfs/dbraw/zinc/38/12/71/341381271.db2.gz UFGONFORAJXXPZ-LJQANCHMSA-N 1 1 312.457 4.528 20 30 DJEDMO C=CCC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccco1 ZINC000552250064 341381272 /nfs/dbraw/zinc/38/12/72/341381272.db2.gz UFGONFORAJXXPZ-LJQANCHMSA-N 1 1 312.457 4.528 20 30 DJEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2Sc2ccccc2)o1 ZINC000174369449 341826237 /nfs/dbraw/zinc/82/62/37/341826237.db2.gz DFKMOCYPBVCWTK-UHFFFAOYSA-N 1 1 320.417 4.592 20 30 DJEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)s1 ZINC000176956518 341906782 /nfs/dbraw/zinc/90/67/82/341906782.db2.gz YWMNLDRUKARKEL-IBGZPJMESA-N 1 1 322.408 4.638 20 30 DJEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1Cl ZINC000019980872 182173084 /nfs/dbraw/zinc/17/30/84/182173084.db2.gz LAOSMWIIMJQHTG-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000425543980 335038828 /nfs/dbraw/zinc/03/88/28/335038828.db2.gz ZZDNYIYGQRVBEK-INIZCTEOSA-N 1 1 317.436 4.552 20 30 DJEDMO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc(C#N)cc1 ZINC000078973634 331678609 /nfs/dbraw/zinc/67/86/09/331678609.db2.gz UDTLXCGPBCRNBR-QRWLVFNGSA-N 1 1 302.377 4.591 20 30 DJEDMO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccc(C#N)cc1 ZINC000078973643 331678684 /nfs/dbraw/zinc/67/86/84/331678684.db2.gz UDTLXCGPBCRNBR-MGPUTAFESA-N 1 1 302.377 4.591 20 30 DJEDMO N#CCCC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000566173621 332018315 /nfs/dbraw/zinc/01/83/15/332018315.db2.gz MCQOPLQLUFHXCJ-UHFFFAOYSA-N 1 1 317.502 4.707 20 30 DJEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N)s1 ZINC000409446897 332032578 /nfs/dbraw/zinc/03/25/78/332032578.db2.gz MMKGAUFXPMCODV-CQSZACIVSA-N 1 1 307.507 4.727 20 30 DJEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000090665586 332092352 /nfs/dbraw/zinc/09/23/52/332092352.db2.gz QHUWTLOZQHLLTE-ACJLOTCBSA-N 1 1 300.352 4.660 20 30 DJEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000090665750 332092576 /nfs/dbraw/zinc/09/25/76/332092576.db2.gz RZKYJDMKHQDRRB-PXAZEXFGSA-N 1 1 318.342 4.800 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cc(Cl)ccc1Cl ZINC000426782020 332152810 /nfs/dbraw/zinc/15/28/10/332152810.db2.gz DCAMOOXFCKXJQE-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000427007415 332164408 /nfs/dbraw/zinc/16/44/08/332164408.db2.gz HXPVMFTWVBRPME-SFHVURJKSA-N 1 1 315.338 4.504 20 30 DJEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000427007415 332164409 /nfs/dbraw/zinc/16/44/09/332164409.db2.gz HXPVMFTWVBRPME-SFHVURJKSA-N 1 1 315.338 4.504 20 30 DJEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000112540515 332314399 /nfs/dbraw/zinc/31/43/99/332314399.db2.gz MXMDMKTYIGCGGC-IRXDYDNUSA-N 1 1 319.408 4.573 20 30 DJEDMO CC(C)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 ZINC000560183555 332317618 /nfs/dbraw/zinc/31/76/18/332317618.db2.gz MZTSZFNYCZULRK-UHFFFAOYSA-N 1 1 319.235 4.890 20 30 DJEDMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000466745051 333082732 /nfs/dbraw/zinc/08/27/32/333082732.db2.gz XVCBTXBLKLNKKK-GOSISDBHSA-N 1 1 316.514 4.768 20 30 DJEDMO Cc1cccc(C[N@H+](Cc2ccco2)Cc2cccc(C#N)c2)c1 ZINC000497738551 333284745 /nfs/dbraw/zinc/28/47/45/333284745.db2.gz UDXCKMOTHBMHFE-UHFFFAOYSA-N 1 1 316.404 4.662 20 30 DJEDMO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2cccc(C#N)c2)c1 ZINC000497738551 333284746 /nfs/dbraw/zinc/28/47/46/333284746.db2.gz UDXCKMOTHBMHFE-UHFFFAOYSA-N 1 1 316.404 4.662 20 30 DJEDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000063068055 333396731 /nfs/dbraw/zinc/39/67/31/333396731.db2.gz VSSHPXCYFIRVDE-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000063068055 333396733 /nfs/dbraw/zinc/39/67/33/333396733.db2.gz VSSHPXCYFIRVDE-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000282127584 334131769 /nfs/dbraw/zinc/13/17/69/334131769.db2.gz YKQSKNJJNJDUKY-LJQANCHMSA-N 1 1 314.473 4.560 20 30 DJEDMO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cc1O ZINC000286026560 334150908 /nfs/dbraw/zinc/15/09/08/334150908.db2.gz JADBWNNUJISOLC-QZTJIDSGSA-N 1 1 312.388 4.617 20 30 DJEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000534728319 334332470 /nfs/dbraw/zinc/33/24/70/334332470.db2.gz KYVUSLMZHOCHTB-GOSISDBHSA-N 1 1 302.487 4.594 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2o1 ZINC000443212344 338447661 /nfs/dbraw/zinc/44/76/61/338447661.db2.gz NMYOZHCNJGSFHW-QWHCGFSZSA-N 1 1 308.356 4.855 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(C#N)cc1F ZINC000425954718 334820490 /nfs/dbraw/zinc/82/04/90/334820490.db2.gz WTOUYVCUEIPCMV-LBPRGKRZSA-N 1 1 312.363 4.565 20 30 DJEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000532570572 336255919 /nfs/dbraw/zinc/25/59/19/336255919.db2.gz AUPKTGHNGTXFON-ZDUSSCGKSA-N 1 1 305.447 4.537 20 30 DJEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000399224186 337314384 /nfs/dbraw/zinc/31/43/84/337314384.db2.gz DITMYNSJEGWFKJ-KRWDZBQOSA-N 1 1 304.437 4.553 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000428298221 338046205 /nfs/dbraw/zinc/04/62/05/338046205.db2.gz DYKPUWGCRICCAE-LLVKDONJSA-N 1 1 322.305 4.567 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cc2ccccc2s1 ZINC000428352338 338048312 /nfs/dbraw/zinc/04/83/12/338048312.db2.gz KOMKALBAMPHJMI-GFCCVEGCSA-N 1 1 310.397 4.763 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434907331 338227870 /nfs/dbraw/zinc/22/78/70/338227870.db2.gz WZOVDPNLQVYVIB-UHFFFAOYSA-N 1 1 302.849 4.759 20 30 DJEDMO CC[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc(C#N)cc1 ZINC000447586983 338559589 /nfs/dbraw/zinc/55/95/89/338559589.db2.gz PMMSJEVTKPSFGW-INIZCTEOSA-N 1 1 323.421 4.516 20 30 DJEDMO N#Cc1ccccc1C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000449451350 338625568 /nfs/dbraw/zinc/62/55/68/338625568.db2.gz QZLSQAIQPDYTHF-SFHVURJKSA-N 1 1 314.791 4.592 20 30 DJEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101163 339105755 /nfs/dbraw/zinc/10/57/55/339105755.db2.gz CWUYSFBVLYNCGP-FNAHDJPLSA-N 1 1 316.448 4.562 20 30 DJEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(C#N)ccc2F)o1 ZINC000464840901 339156711 /nfs/dbraw/zinc/15/67/11/339156711.db2.gz WKQJXVBWMKWOEG-SCLBCKFNSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cc(C#N)ccc2F)o1 ZINC000464840901 339156712 /nfs/dbraw/zinc/15/67/12/339156712.db2.gz WKQJXVBWMKWOEG-SCLBCKFNSA-N 1 1 312.388 4.572 20 30 DJEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCSCC#N ZINC000466702574 339213561 /nfs/dbraw/zinc/21/35/61/339213561.db2.gz CYYQTFXAHXXYHY-NSHDSACASA-N 1 1 317.285 4.633 20 30 DJEDMO N#CCSCCC[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000466725784 339214428 /nfs/dbraw/zinc/21/44/28/339214428.db2.gz YYTJLGSKJKANID-KRWDZBQOSA-N 1 1 322.905 4.904 20 30 DJEDMO N#CCCCC[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466953977 339222590 /nfs/dbraw/zinc/22/25/90/339222590.db2.gz YRCDCSZVCGSDHM-INIZCTEOSA-N 1 1 312.482 4.850 20 30 DJEDMO C=CCC[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000467290717 339230055 /nfs/dbraw/zinc/23/00/55/339230055.db2.gz RTGYUVHPQFENLS-UHFFFAOYSA-N 1 1 322.408 4.511 20 30 DJEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468287734 339259003 /nfs/dbraw/zinc/25/90/03/339259003.db2.gz HIKSSEZYKFZKLG-ZDUSSCGKSA-N 1 1 308.356 4.637 20 30 DJEDMO CC(C)CC[N@@H+](CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000468406552 339262238 /nfs/dbraw/zinc/26/22/38/339262238.db2.gz CMSFCOBQJOBQFE-UHFFFAOYSA-N 1 1 304.400 4.617 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000470719070 339326032 /nfs/dbraw/zinc/32/60/32/339326032.db2.gz ZVYBFXIXUYSNPK-UHFFFAOYSA-N 1 1 314.379 4.908 20 30 DJEDMO C=C(C)C[N@H+](Cc1nc2ccc(F)cc2o1)Cc1ccccc1 ZINC000470923910 339331333 /nfs/dbraw/zinc/33/13/33/339331333.db2.gz QVLMVEOKNKXAAC-UHFFFAOYSA-N 1 1 310.372 4.545 20 30 DJEDMO C=C(C)C[N@@H+](Cc1nc2ccc(F)cc2o1)Cc1ccccc1 ZINC000470923910 339331334 /nfs/dbraw/zinc/33/13/34/339331334.db2.gz QVLMVEOKNKXAAC-UHFFFAOYSA-N 1 1 310.372 4.545 20 30 DJEDMO COc1ccc([C@H]2CCCCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000471721861 339352375 /nfs/dbraw/zinc/35/23/75/339352375.db2.gz ZLIPPAIJMMPSDG-LJQANCHMSA-N 1 1 314.473 4.942 20 30 DJEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000472246968 339367510 /nfs/dbraw/zinc/36/75/10/339367510.db2.gz NMIWPXCKXFDDJS-GOSISDBHSA-N 1 1 304.453 4.655 20 30 DJEDMO CSc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1 ZINC000500216222 340053159 /nfs/dbraw/zinc/05/31/59/340053159.db2.gz DXKSNIKRCIGPLF-LBPRGKRZSA-N 1 1 316.857 4.784 20 30 DJEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507383 340106352 /nfs/dbraw/zinc/10/63/52/340106352.db2.gz NBIFXQUDNQWVPT-AWEZNQCLSA-N 1 1 324.374 4.687 20 30 DJEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507383 340106353 /nfs/dbraw/zinc/10/63/53/340106353.db2.gz NBIFXQUDNQWVPT-AWEZNQCLSA-N 1 1 324.374 4.687 20 30 DJEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000507174504 340211020 /nfs/dbraw/zinc/21/10/20/340211020.db2.gz RONZUFFJTHQADB-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000507174504 340211021 /nfs/dbraw/zinc/21/10/21/340211021.db2.gz RONZUFFJTHQADB-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000507362328 340218086 /nfs/dbraw/zinc/21/80/86/340218086.db2.gz YEEONVIMEHMJFS-LLVKDONJSA-N 1 1 324.371 4.832 20 30 DJEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507615752 340226402 /nfs/dbraw/zinc/22/64/02/340226402.db2.gz AXKBDOMIFHWPFH-ZIAGYGMSSA-N 1 1 313.894 4.595 20 30 DJEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000507667389 340227886 /nfs/dbraw/zinc/22/78/86/340227886.db2.gz VEFOZHRTIXHQHP-SNVBAGLBSA-N 1 1 309.196 4.651 20 30 DJEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000507667389 340227887 /nfs/dbraw/zinc/22/78/87/340227887.db2.gz VEFOZHRTIXHQHP-SNVBAGLBSA-N 1 1 309.196 4.651 20 30 DJEDMO CCOc1cccc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000508668124 340250064 /nfs/dbraw/zinc/25/00/64/340250064.db2.gz WPMYNKKDQMOYTA-MRXNPFEDSA-N 1 1 308.425 4.540 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000508693967 340250853 /nfs/dbraw/zinc/25/08/53/340250853.db2.gz KLUJBXZRNYDQGZ-UHFFFAOYSA-N 1 1 316.464 4.943 20 30 DJEDMO Cc1ccccc1C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000508822516 340253679 /nfs/dbraw/zinc/25/36/79/340253679.db2.gz PDQXJPAVPLUURK-UHFFFAOYSA-N 1 1 316.404 4.662 20 30 DJEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000508990088 340257125 /nfs/dbraw/zinc/25/71/25/340257125.db2.gz DFBUJPUNNGKWEU-NSHDSACASA-N 1 1 300.265 4.614 20 30 DJEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)o1 ZINC000510206591 340292524 /nfs/dbraw/zinc/29/25/24/340292524.db2.gz CEQCGRURBXKGGP-UHFFFAOYSA-N 1 1 321.207 4.623 20 30 DJEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)o1 ZINC000510206591 340292525 /nfs/dbraw/zinc/29/25/25/340292525.db2.gz CEQCGRURBXKGGP-UHFFFAOYSA-N 1 1 321.207 4.623 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc3ccccc32)o1 ZINC000511762200 340337404 /nfs/dbraw/zinc/33/74/04/340337404.db2.gz KREVMRALDWXKLS-FQEVSTJZSA-N 1 1 302.377 4.642 20 30 DJEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cccc(Cl)c1 ZINC000512162488 340350484 /nfs/dbraw/zinc/35/04/84/340350484.db2.gz CHHZNGJGVASQKP-CQSZACIVSA-N 1 1 319.832 4.565 20 30 DJEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccc(F)cc1 ZINC000512507008 340364668 /nfs/dbraw/zinc/36/46/68/340364668.db2.gz SWQNXNVVDJUMNB-INIZCTEOSA-N 1 1 315.436 4.742 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(F)c(F)c1 ZINC000187375575 340519518 /nfs/dbraw/zinc/51/95/18/340519518.db2.gz LYFKZGUIIWWKRU-HXUWFJFHSA-N 1 1 324.374 4.920 20 30 DJEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211545 341000450 /nfs/dbraw/zinc/00/04/50/341000450.db2.gz CVVHQLAUNCUNAA-HNNXBMFYSA-N 1 1 304.393 4.692 20 30 DJEDMO CCC[N@H+](Cc1ncc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000543393500 341041540 /nfs/dbraw/zinc/04/15/40/341041540.db2.gz GOKTZYPPMQETSA-UHFFFAOYSA-N 1 1 313.470 4.550 20 30 DJEDMO CCC[N@@H+](Cc1ncc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000543393500 341041541 /nfs/dbraw/zinc/04/15/41/341041541.db2.gz GOKTZYPPMQETSA-UHFFFAOYSA-N 1 1 313.470 4.550 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170005 341287770 /nfs/dbraw/zinc/28/77/70/341287770.db2.gz FGTCWBVQYQJWIF-BBRMVZONSA-N 1 1 322.374 4.674 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1cc(OC)ccc1F)c1ccc(F)c(F)c1 ZINC000549805125 341303641 /nfs/dbraw/zinc/30/36/41/341303641.db2.gz UVDPSOXPKKOGLS-GOSISDBHSA-N 1 1 321.342 4.520 20 30 DJEDMO C[C@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1F ZINC000567024880 341575052 /nfs/dbraw/zinc/57/50/52/341575052.db2.gz BZWWDQFZXPCUCP-LKFCYVNXSA-N 1 1 320.820 4.750 20 30 DJEDMO C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)c1cccc(C#N)c1 ZINC000312767982 341628666 /nfs/dbraw/zinc/62/86/66/341628666.db2.gz HXENGRMAQLTQIV-VIFPVBQESA-N 1 1 311.237 4.777 20 30 DJEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000425543981 335038798 /nfs/dbraw/zinc/03/87/98/335038798.db2.gz ZZDNYIYGQRVBEK-MRXNPFEDSA-N 1 1 317.436 4.552 20 30 DJEDMO C=CCOc1ccccc1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000518280498 332006146 /nfs/dbraw/zinc/00/61/46/332006146.db2.gz RXZSWYLKYSZELD-UHFFFAOYSA-N 1 1 322.235 4.848 20 30 DJEDMO COc1ccccc1[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000409447349 332031829 /nfs/dbraw/zinc/03/18/29/332031829.db2.gz OTEPLKSYBSNZAF-QGZVFWFLSA-N 1 1 300.446 4.552 20 30 DJEDMO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665685 332092363 /nfs/dbraw/zinc/09/23/63/332092363.db2.gz UROXCASRTJTNIY-APWZRJJASA-N 1 1 308.425 4.699 20 30 DJEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000426391571 332107815 /nfs/dbraw/zinc/10/78/15/332107815.db2.gz RHFBOWBAXVNTCH-MRXNPFEDSA-N 1 1 301.842 4.590 20 30 DJEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2CCC2CCCC2)CCOCC1 ZINC000410412467 332124731 /nfs/dbraw/zinc/12/47/31/332124731.db2.gz BVCMQTRSRWNXHL-LJQANCHMSA-N 1 1 318.505 4.522 20 30 DJEDMO CC(C)(C#N)CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000559368387 332134124 /nfs/dbraw/zinc/13/41/24/332134124.db2.gz HPAOLPAIKPRMSM-FQEVSTJZSA-N 1 1 304.437 4.574 20 30 DJEDMO N#CCC[C@H]([NH2+]Cc1cc(Cl)ccc1F)c1ccccc1 ZINC000119847918 332311683 /nfs/dbraw/zinc/31/16/83/332311683.db2.gz OQNGAQSRPUIRDW-KRWDZBQOSA-N 1 1 302.780 4.614 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1c(F)cccc1SC)c1ccco1 ZINC000560574873 332363410 /nfs/dbraw/zinc/36/34/10/332363410.db2.gz QIFXVWYGJINRHX-HNNXBMFYSA-N 1 1 305.418 4.938 20 30 DJEDMO COc1ccc([C@@H](CCC#N)[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000562593192 332607727 /nfs/dbraw/zinc/60/77/27/332607727.db2.gz BMIRNGNLHIQHOE-LJQANCHMSA-N 1 1 320.392 4.576 20 30 DJEDMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185727662 333212963 /nfs/dbraw/zinc/21/29/63/333212963.db2.gz UIYCYZVCYARHMU-SJLPKXTDSA-N 1 1 322.456 4.549 20 30 DJEDMO C=CCC[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000514087320 333260190 /nfs/dbraw/zinc/26/01/90/333260190.db2.gz GOBAHFUTMCXWMK-FQEVSTJZSA-N 1 1 324.468 4.673 20 30 DJEDMO CC[N@@H+](Cc1cccc(OC(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599900 333267766 /nfs/dbraw/zinc/26/77/66/333267766.db2.gz NHSDXFLYUPBOJP-KRWDZBQOSA-N 1 1 322.452 4.929 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc(Cl)ccc1Cl ZINC000186184342 333372223 /nfs/dbraw/zinc/37/22/23/333372223.db2.gz NAXLILATSCGTFG-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc(Cl)ccc1Cl ZINC000186780054 333378600 /nfs/dbraw/zinc/37/86/00/333378600.db2.gz NAXLILATSCGTFG-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000337456589 333449548 /nfs/dbraw/zinc/44/95/48/333449548.db2.gz JKGCDAQIHYSETO-JXFKEZNVSA-N 1 1 322.456 4.694 20 30 DJEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000337456590 333449570 /nfs/dbraw/zinc/44/95/70/333449570.db2.gz JKGCDAQIHYSETO-OXJNMPFZSA-N 1 1 322.456 4.694 20 30 DJEDMO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1c(F)cccc1F ZINC000271634053 334024735 /nfs/dbraw/zinc/02/47/35/334024735.db2.gz BSMQPFJSPHNMDT-ZDUSSCGKSA-N 1 1 314.379 4.617 20 30 DJEDMO Cc1ccccc1C[N@@H+](Cc1cccnc1)CC(C)(C)CCC#N ZINC000289427071 334165259 /nfs/dbraw/zinc/16/52/59/334165259.db2.gz KBFHQSDCKISMII-UHFFFAOYSA-N 1 1 321.468 4.722 20 30 DJEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511828 334198555 /nfs/dbraw/zinc/19/85/55/334198555.db2.gz IBHIDYVDYHJYBK-KMFMINBZSA-N 1 1 322.374 4.577 20 30 DJEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1 ZINC000353635059 334308086 /nfs/dbraw/zinc/30/80/86/334308086.db2.gz XZSZLUTXRPOFNU-CQSZACIVSA-N 1 1 316.470 4.518 20 30 DJEDMO CC(C)C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000352807781 336243182 /nfs/dbraw/zinc/24/31/82/336243182.db2.gz AEOWHQKQTCOXKW-OAHLLOKOSA-N 1 1 319.861 4.545 20 30 DJEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000532623518 336257716 /nfs/dbraw/zinc/25/77/16/336257716.db2.gz IKHZNJRDQWSQER-VQTJNVASSA-N 1 1 316.404 4.705 20 30 DJEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000532623518 336257717 /nfs/dbraw/zinc/25/77/17/336257717.db2.gz IKHZNJRDQWSQER-VQTJNVASSA-N 1 1 316.404 4.705 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccco1 ZINC000514106151 336360957 /nfs/dbraw/zinc/36/09/57/336360957.db2.gz WEJWXYVDABXAEB-AWEZNQCLSA-N 1 1 307.340 4.678 20 30 DJEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000034992567 336385103 /nfs/dbraw/zinc/38/51/03/336385103.db2.gz DTDOWCCIAKYCSE-AWEZNQCLSA-N 1 1 301.817 4.756 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(F)c(F)c1 ZINC000193302626 336693820 /nfs/dbraw/zinc/69/38/20/336693820.db2.gz DZUUNBVCRRTWQQ-AEFFLSMTSA-N 1 1 303.352 4.842 20 30 DJEDMO C#CC[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1ccccc1 ZINC000270259545 337639674 /nfs/dbraw/zinc/63/96/74/337639674.db2.gz VRHFGIIBEOEFRL-MRXNPFEDSA-N 1 1 321.392 4.590 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000428292942 338045834 /nfs/dbraw/zinc/04/58/34/338045834.db2.gz DITWLSJHTYOJFH-LLVKDONJSA-N 1 1 322.305 4.567 20 30 DJEDMO CC(C)(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(F)c1 ZINC000428352577 338048478 /nfs/dbraw/zinc/04/84/78/338048478.db2.gz QZBLFVPXYZJHSW-SFHVURJKSA-N 1 1 314.379 4.713 20 30 DJEDMO Cc1cc([C@H]2CCC[N@H+]2CCCCC#N)ccc1Br ZINC000430238505 338102689 /nfs/dbraw/zinc/10/26/89/338102689.db2.gz KNXMHVUDSMIOIU-MRXNPFEDSA-N 1 1 321.262 4.588 20 30 DJEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000435235946 338234952 /nfs/dbraw/zinc/23/49/52/338234952.db2.gz PIUYFOUFCBFMJQ-UHFFFAOYSA-N 1 1 322.452 4.780 20 30 DJEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1F ZINC000439432743 338369178 /nfs/dbraw/zinc/36/91/78/338369178.db2.gz VLROEABTCDPAQH-QGZVFWFLSA-N 1 1 320.770 4.731 20 30 DJEDMO C[N@H+](Cc1cc2ccccc2o1)Cc1ccc(C#N)cc1Cl ZINC000439441698 338369584 /nfs/dbraw/zinc/36/95/84/338369584.db2.gz TUEFKKCEBZAILM-UHFFFAOYSA-N 1 1 310.784 4.590 20 30 DJEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(C#N)cc1Cl ZINC000439441698 338369585 /nfs/dbraw/zinc/36/95/85/338369585.db2.gz TUEFKKCEBZAILM-UHFFFAOYSA-N 1 1 310.784 4.590 20 30 DJEDMO N#CCSCCC[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459750466 339046187 /nfs/dbraw/zinc/04/61/87/339046187.db2.gz PTSBBWLWMKOPJF-GOSISDBHSA-N 1 1 314.498 4.641 20 30 DJEDMO CC(C)c1ccc(CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000462458354 339079317 /nfs/dbraw/zinc/07/93/17/339079317.db2.gz UOJZXVQNCDREQG-HXUWFJFHSA-N 1 1 323.484 4.508 20 30 DJEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101162 339105622 /nfs/dbraw/zinc/10/56/22/339105622.db2.gz CWUYSFBVLYNCGP-CMOCDZPBSA-N 1 1 316.448 4.562 20 30 DJEDMO CCCC[N@@H+](CCCSCC#N)Cc1ccccc1Cl ZINC000466727024 339214431 /nfs/dbraw/zinc/21/44/31/339214431.db2.gz AXQPWJZEXWSWRY-UHFFFAOYSA-N 1 1 310.894 4.589 20 30 DJEDMO Cc1cccc([C@H]2CCCCC[N@H+]2CCCSCC#N)c1 ZINC000466728751 339214631 /nfs/dbraw/zinc/21/46/31/339214631.db2.gz WEDRWKCXTCLBBB-GOSISDBHSA-N 1 1 302.487 4.559 20 30 DJEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468287733 339258981 /nfs/dbraw/zinc/25/89/81/339258981.db2.gz HIKSSEZYKFZKLG-CYBMUJFWSA-N 1 1 308.356 4.637 20 30 DJEDMO C[C@H]([N@@H+](CCCSCC#N)Cc1ccccc1)C(C)(C)C ZINC000469446652 339289584 /nfs/dbraw/zinc/28/95/84/339289584.db2.gz QYLJYBHAUWFPCY-INIZCTEOSA-N 1 1 304.503 4.570 20 30 DJEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(F)F)c1 ZINC000470715081 339325803 /nfs/dbraw/zinc/32/58/03/339325803.db2.gz BQLMQRSIZRRIAM-UHFFFAOYSA-N 1 1 312.363 4.684 20 30 DJEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000472246969 339367482 /nfs/dbraw/zinc/36/74/82/339367482.db2.gz NMIWPXCKXFDDJS-SFHVURJKSA-N 1 1 304.453 4.655 20 30 DJEDMO C=CCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499168978 340031610 /nfs/dbraw/zinc/03/16/10/340031610.db2.gz LXKTZTRYHGKAEE-AYWYSENESA-N 1 1 312.501 4.516 20 30 DJEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507384 340106240 /nfs/dbraw/zinc/10/62/40/340106240.db2.gz NBIFXQUDNQWVPT-CQSZACIVSA-N 1 1 324.374 4.687 20 30 DJEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507384 340106241 /nfs/dbraw/zinc/10/62/41/340106241.db2.gz NBIFXQUDNQWVPT-CQSZACIVSA-N 1 1 324.374 4.687 20 30 DJEDMO CC[N@@H+](C/C(C)=C/c1ccccc1C(F)(F)F)C[C@H](C)C#N ZINC000503953582 340138447 /nfs/dbraw/zinc/13/84/47/340138447.db2.gz PLUQUIILAAFPIA-KADHNRKRSA-N 1 1 310.363 4.590 20 30 DJEDMO CC[N@H+](C/C(C)=C/c1ccccc1C(F)(F)F)C[C@H](C)C#N ZINC000503953582 340138448 /nfs/dbraw/zinc/13/84/48/340138448.db2.gz PLUQUIILAAFPIA-KADHNRKRSA-N 1 1 310.363 4.590 20 30 DJEDMO C=CC[N@H+](Cc1cccs1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000506010130 340183179 /nfs/dbraw/zinc/18/31/79/340183179.db2.gz PCDMYUVGNUXCKE-UHFFFAOYSA-N 1 1 317.502 4.505 20 30 DJEDMO C=CC[N@@H+](Cc1cccs1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000506010130 340183180 /nfs/dbraw/zinc/18/31/80/340183180.db2.gz PCDMYUVGNUXCKE-UHFFFAOYSA-N 1 1 317.502 4.505 20 30 DJEDMO C=CCOc1ccc(C[N@H+](Cc2ccc(C#N)o2)C(C)(C)C)cc1 ZINC000506045979 340184155 /nfs/dbraw/zinc/18/41/55/340184155.db2.gz OPHOBOPMJCTGPZ-UHFFFAOYSA-N 1 1 324.424 4.517 20 30 DJEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(Cl)c(Cl)c1 ZINC000506753999 340201037 /nfs/dbraw/zinc/20/10/37/340201037.db2.gz UHWXUPBQDDWOMR-UHFFFAOYSA-N 1 1 311.237 4.559 20 30 DJEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(Cl)c(Cl)c1 ZINC000506753999 340201038 /nfs/dbraw/zinc/20/10/38/340201038.db2.gz UHWXUPBQDDWOMR-UHFFFAOYSA-N 1 1 311.237 4.559 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000506327922 340192476 /nfs/dbraw/zinc/19/24/76/340192476.db2.gz XFVGPNTVMOQUSV-OAQYLSRUSA-N 1 1 318.464 4.964 20 30 DJEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(Cl)c(Cl)c1 ZINC000506749643 340200886 /nfs/dbraw/zinc/20/08/86/340200886.db2.gz ZEYQDSZRNPOOAC-UHFFFAOYSA-N 1 1 311.237 4.559 20 30 DJEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(Cl)c(Cl)c1 ZINC000506749643 340200887 /nfs/dbraw/zinc/20/08/87/340200887.db2.gz ZEYQDSZRNPOOAC-UHFFFAOYSA-N 1 1 311.237 4.559 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000507251591 340215661 /nfs/dbraw/zinc/21/56/61/340215661.db2.gz JDJKZGMLXDFLML-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)c1ccccc1OC ZINC000508625824 340248650 /nfs/dbraw/zinc/24/86/50/340248650.db2.gz ROGIJAAEZYZLDH-CQSZACIVSA-N 1 1 314.454 4.602 20 30 DJEDMO CC[N@H+](Cc1cc(F)c(F)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000508673258 340250215 /nfs/dbraw/zinc/25/02/15/340250215.db2.gz VOEPREBXVUXJEZ-GFCCVEGCSA-N 1 1 318.342 4.559 20 30 DJEDMO CC[N@@H+](Cc1cc(F)c(F)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000508673258 340250216 /nfs/dbraw/zinc/25/02/16/340250216.db2.gz VOEPREBXVUXJEZ-GFCCVEGCSA-N 1 1 318.342 4.559 20 30 DJEDMO CSc1ccccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000511116056 340321279 /nfs/dbraw/zinc/32/12/79/340321279.db2.gz PQHWNUSFUVRNSJ-OALUTQOASA-N 1 1 322.477 4.680 20 30 DJEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1ccc(C#N)cc1F ZINC000512277314 340355153 /nfs/dbraw/zinc/35/51/53/340355153.db2.gz GNGTUJQTGSGEIY-OAHLLOKOSA-N 1 1 323.415 4.779 20 30 DJEDMO C=C(C)C[N@H+](C/C=C\c1ccccc1)Cc1cnn(C(C)C)c1 ZINC000512532780 340365815 /nfs/dbraw/zinc/36/58/15/340365815.db2.gz VECSIXRHCADCAS-FLIBITNWSA-N 1 1 309.457 4.556 20 30 DJEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404053894 340375651 /nfs/dbraw/zinc/37/56/51/340375651.db2.gz GDTQAJGBCJUZIP-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C=CCC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000513763058 340423893 /nfs/dbraw/zinc/42/38/93/340423893.db2.gz VINZISANNDOSTQ-HXUWFJFHSA-N 1 1 324.468 4.673 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000237517103 340671613 /nfs/dbraw/zinc/67/16/13/340671613.db2.gz GLQAROIVCJWSSG-CQSZACIVSA-N 1 1 319.433 4.533 20 30 DJEDMO Cc1cc([C@@H]([NH2+]CCCC#N)c2ccccc2Cl)ccc1F ZINC000542498783 341010579 /nfs/dbraw/zinc/01/05/79/341010579.db2.gz MHLFSPAOZFZFIC-GOSISDBHSA-N 1 1 316.807 4.770 20 30 DJEDMO N#CCSCCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000074989093 341159002 /nfs/dbraw/zinc/15/90/02/341159002.db2.gz VAOFPRYWVFDTQS-IBGZPJMESA-N 1 1 310.466 4.624 20 30 DJEDMO C[C@@H](c1ccccc1Cl)[N@@H+](CCCSCC#N)C1CC1 ZINC000074990085 341159130 /nfs/dbraw/zinc/15/91/30/341159130.db2.gz GSJSWBDZSQQCHX-ZDUSSCGKSA-N 1 1 308.878 4.512 20 30 DJEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)c1cccc(O)c1 ZINC000135242958 341234120 /nfs/dbraw/zinc/23/41/20/341234120.db2.gz VLLSFIUCIDIHHP-INIZCTEOSA-N 1 1 322.452 4.776 20 30 DJEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000550351052 341315531 /nfs/dbraw/zinc/31/55/31/341315531.db2.gz UXSDYSORHDMWSY-AWEZNQCLSA-N 1 1 310.828 4.937 20 30 DJEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1Cl ZINC000090117715 341413687 /nfs/dbraw/zinc/41/36/87/341413687.db2.gz GWOPZHQAJFLIDU-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)s1 ZINC000176956536 341906798 /nfs/dbraw/zinc/90/67/98/341906798.db2.gz YWMNLDRUKARKEL-LJQANCHMSA-N 1 1 322.408 4.638 20 30 DJEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000442669385 335002480 /nfs/dbraw/zinc/00/24/80/335002480.db2.gz AYRMPEHNJQYXEC-SJLPKXTDSA-N 1 1 322.477 4.733 20 30 DJEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1Cl ZINC000019980876 182172899 /nfs/dbraw/zinc/17/28/99/182172899.db2.gz LAOSMWIIMJQHTG-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1ccc(F)c(F)c1 ZINC000286215866 335030415 /nfs/dbraw/zinc/03/04/15/335030415.db2.gz SBNRPVSLSLKYPX-SCLBCKFNSA-N 1 1 302.368 4.636 20 30 DJEDMO C=CCC[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccco1 ZINC000287526773 335044420 /nfs/dbraw/zinc/04/44/20/335044420.db2.gz OTMOBRJAXXNDCI-HOTGVXAUSA-N 1 1 301.361 4.539 20 30 DJEDMO C=CCC[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccco1 ZINC000287421670 335046148 /nfs/dbraw/zinc/04/61/48/335046148.db2.gz KCUFVAGSSGZJCB-HOTGVXAUSA-N 1 1 301.361 4.539 20 30 DJEDMO Cc1ccccc1C([NH2+]Cc1ccc(C#N)o1)c1ccccc1C ZINC000186278471 332920604 /nfs/dbraw/zinc/92/06/04/332920604.db2.gz SRMXZMVPJOYDPZ-UHFFFAOYSA-N 1 1 316.404 4.647 20 30 DJEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc2cc[nH]c21 ZINC000569411125 332078124 /nfs/dbraw/zinc/07/81/24/332078124.db2.gz WOCYUJKZRSTDCA-UHFFFAOYSA-N 1 1 322.456 4.524 20 30 DJEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000090665749 332092437 /nfs/dbraw/zinc/09/24/37/332092437.db2.gz RZKYJDMKHQDRRB-SJCJKPOMSA-N 1 1 318.342 4.800 20 30 DJEDMO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665687 332092480 /nfs/dbraw/zinc/09/24/80/332092480.db2.gz UROXCASRTJTNIY-VQIMIIECSA-N 1 1 308.425 4.699 20 30 DJEDMO COc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(F)c1 ZINC000090665882 332092563 /nfs/dbraw/zinc/09/25/63/332092563.db2.gz MPLCLFJLLNLKDG-AUUYWEPGSA-N 1 1 312.388 4.530 20 30 DJEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000090665884 332092570 /nfs/dbraw/zinc/09/25/70/332092570.db2.gz DYBFEQBJPGHXTD-ACJLOTCBSA-N 1 1 300.352 4.660 20 30 DJEDMO CC[N@@H+](Cc1ccc(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000569507112 332112586 /nfs/dbraw/zinc/11/25/86/332112586.db2.gz GGARDRLFIJXNTH-QGZVFWFLSA-N 1 1 321.468 4.968 20 30 DJEDMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185727681 333212817 /nfs/dbraw/zinc/21/28/17/333212817.db2.gz UIYCYZVCYARHMU-AEFFLSMTSA-N 1 1 322.456 4.549 20 30 DJEDMO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000497585765 333266413 /nfs/dbraw/zinc/26/64/13/333266413.db2.gz SMAPBDSFJNHNRQ-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621104 333270740 /nfs/dbraw/zinc/27/07/40/333270740.db2.gz SDEHIFHHPUJGAQ-FUHIMQAGSA-N 1 1 314.473 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620836 333270766 /nfs/dbraw/zinc/27/07/66/333270766.db2.gz PWDGFLHLDDGINZ-ZDUSSCGKSA-N 1 1 316.807 4.934 20 30 DJEDMO CC[N@@H+](Cc1ccc(F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620836 333270767 /nfs/dbraw/zinc/27/07/67/333270767.db2.gz PWDGFLHLDDGINZ-ZDUSSCGKSA-N 1 1 316.807 4.934 20 30 DJEDMO CC(C)c1[nH+]ccn1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000534069252 333560421 /nfs/dbraw/zinc/56/04/21/333560421.db2.gz DNCXDPGLKHVWOC-UHFFFAOYSA-N 1 1 301.393 4.593 20 30 DJEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000282127581 334131806 /nfs/dbraw/zinc/13/18/06/334131806.db2.gz YKQSKNJJNJDUKY-IBGZPJMESA-N 1 1 314.473 4.560 20 30 DJEDMO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1O ZINC000286026564 334150851 /nfs/dbraw/zinc/15/08/51/334150851.db2.gz JADBWNNUJISOLC-ROUUACIJSA-N 1 1 312.388 4.617 20 30 DJEDMO N#Cc1cccc(C[NH+]2Cc3ccccc3-c3ccccc3C2)c1 ZINC000303197635 334303848 /nfs/dbraw/zinc/30/38/48/334303848.db2.gz WSOQDKFWFVJMQN-UHFFFAOYSA-N 1 1 310.400 4.741 20 30 DJEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)ccc1F ZINC000480868116 336253375 /nfs/dbraw/zinc/25/33/75/336253375.db2.gz DMZLEFMFFRRVKM-GFCCVEGCSA-N 1 1 302.780 4.510 20 30 DJEDMO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1cccc(C#N)c1 ZINC000193001798 336286756 /nfs/dbraw/zinc/28/67/56/336286756.db2.gz ZXHJFCWBELGGSN-MGPUTAFESA-N 1 1 302.377 4.591 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ccco1 ZINC000514106152 336360923 /nfs/dbraw/zinc/36/09/23/336360923.db2.gz WEJWXYVDABXAEB-CQSZACIVSA-N 1 1 307.340 4.678 20 30 DJEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000582632727 337116454 /nfs/dbraw/zinc/11/64/54/337116454.db2.gz CRSUFVRZEOPEFP-NHCUHLMSSA-N 1 1 323.484 4.646 20 30 DJEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000173904076 337138803 /nfs/dbraw/zinc/13/88/03/337138803.db2.gz JWERPTDZTZRENC-HUUCEWRRSA-N 1 1 317.392 4.625 20 30 DJEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000583151231 337246587 /nfs/dbraw/zinc/24/65/87/337246587.db2.gz PUQVYUVWGIBJEJ-INIZCTEOSA-N 1 1 324.493 4.799 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cc(Cl)ccc1Cl ZINC000426116613 338020666 /nfs/dbraw/zinc/02/06/66/338020666.db2.gz DCAMOOXFCKXJQE-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO CC(C)(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1 ZINC000428379152 338049634 /nfs/dbraw/zinc/04/96/34/338049634.db2.gz BKTMHVMQRMECTQ-SFHVURJKSA-N 1 1 314.379 4.713 20 30 DJEDMO CC[N@@H+](Cc1oc(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000428441134 338051602 /nfs/dbraw/zinc/05/16/02/338051602.db2.gz GVGJJNBKHNJQMV-OAHLLOKOSA-N 1 1 311.429 4.561 20 30 DJEDMO CC[N@@H+](Cc1oc(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000428441131 338051637 /nfs/dbraw/zinc/05/16/37/338051637.db2.gz GVGJJNBKHNJQMV-HNNXBMFYSA-N 1 1 311.429 4.561 20 30 DJEDMO N#C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000429021107 338069195 /nfs/dbraw/zinc/06/91/95/338069195.db2.gz PAVLNUCUABZGEQ-LSTHTHJFSA-N 1 1 322.839 4.566 20 30 DJEDMO N#C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000429021107 338069196 /nfs/dbraw/zinc/06/91/96/338069196.db2.gz PAVLNUCUABZGEQ-LSTHTHJFSA-N 1 1 322.839 4.566 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000432239845 338149918 /nfs/dbraw/zinc/14/99/18/338149918.db2.gz HIKQAASRQVYWBN-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)sc1Cl ZINC000151379596 338170199 /nfs/dbraw/zinc/17/01/99/338170199.db2.gz ZBWRAWPMSYKONI-SECBINFHSA-N 1 1 311.237 4.777 20 30 DJEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)c1cccc(O)c1 ZINC000439449978 338369805 /nfs/dbraw/zinc/36/98/05/338369805.db2.gz KFLPCRDDDGKGFO-ZDUSSCGKSA-N 1 1 314.816 4.500 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)c1cccc(O)c1 ZINC000439449978 338369806 /nfs/dbraw/zinc/36/98/06/338369806.db2.gz KFLPCRDDDGKGFO-ZDUSSCGKSA-N 1 1 314.816 4.500 20 30 DJEDMO N#CCSCCC[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459750472 339046216 /nfs/dbraw/zinc/04/62/16/339046216.db2.gz PTSBBWLWMKOPJF-SFHVURJKSA-N 1 1 314.498 4.641 20 30 DJEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000462904054 339097072 /nfs/dbraw/zinc/09/70/72/339097072.db2.gz GTXFEDWELNBYCE-KRWDZBQOSA-N 1 1 316.404 4.915 20 30 DJEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cncc(C(F)(F)F)c1 ZINC000463208751 339109569 /nfs/dbraw/zinc/10/95/69/339109569.db2.gz GQKIDMLRNMYCDN-UHFFFAOYSA-N 1 1 320.358 4.679 20 30 DJEDMO C[C@H](c1ccccc1)[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000463230316 339110560 /nfs/dbraw/zinc/11/05/60/339110560.db2.gz HFBFKXABJCNWTM-GOSISDBHSA-N 1 1 324.493 4.897 20 30 DJEDMO Cc1ccccc1C[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000466742157 339215358 /nfs/dbraw/zinc/21/53/58/339215358.db2.gz FFFJYJFOJVKVPA-UHFFFAOYSA-N 1 1 324.493 4.644 20 30 DJEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000470726479 339326352 /nfs/dbraw/zinc/32/63/52/339326352.db2.gz NFHGAPFPIFEQSD-UHFFFAOYSA-N 1 1 314.379 4.906 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000472231419 339366760 /nfs/dbraw/zinc/36/67/60/339366760.db2.gz JKAHKGCMVXTKIV-OAQYLSRUSA-N 1 1 318.464 4.964 20 30 DJEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1Br ZINC000472430782 339371616 /nfs/dbraw/zinc/37/16/16/339371616.db2.gz JLJQVUDBONAVBT-UHFFFAOYSA-N 1 1 323.278 4.601 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000472434657 339371665 /nfs/dbraw/zinc/37/16/65/339371665.db2.gz WIUYFDMEOMIDEN-INIZCTEOSA-N 1 1 304.865 4.677 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000472428190 339371712 /nfs/dbraw/zinc/37/17/12/339371712.db2.gz FUMBWYXQCWUMFF-AWEZNQCLSA-N 1 1 322.855 4.816 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC000480657416 339581421 /nfs/dbraw/zinc/58/14/21/339581421.db2.gz HDTDCLBKENVTEY-ORAYPTAESA-N 1 1 317.379 4.941 20 30 DJEDMO C[C@H](c1ccccc1F)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531605 340107104 /nfs/dbraw/zinc/10/71/04/340107104.db2.gz QFOZPHJHAMLJRT-OAHLLOKOSA-N 1 1 306.384 4.548 20 30 DJEDMO CC[N@@H+](C/C(C)=C\c1ccccc1C(F)(F)F)C[C@@H](C)C#N ZINC000503953585 340138506 /nfs/dbraw/zinc/13/85/06/340138506.db2.gz PLUQUIILAAFPIA-XXYUJHKVSA-N 1 1 310.363 4.590 20 30 DJEDMO CC[N@H+](C/C(C)=C\c1ccccc1C(F)(F)F)C[C@@H](C)C#N ZINC000503953585 340138507 /nfs/dbraw/zinc/13/85/07/340138507.db2.gz PLUQUIILAAFPIA-XXYUJHKVSA-N 1 1 310.363 4.590 20 30 DJEDMO C=CCOc1ccc(C[N@H+](Cc2cncs2)C(C)(C)C)cc1 ZINC000506045820 340184238 /nfs/dbraw/zinc/18/42/38/340184238.db2.gz LLJDCCXAXXOIJH-UHFFFAOYSA-N 1 1 316.470 4.509 20 30 DJEDMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000506553864 340196640 /nfs/dbraw/zinc/19/66/40/340196640.db2.gz DJONHBLFFOIHSH-SJCJKPOMSA-N 1 1 312.438 4.501 20 30 DJEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000506553864 340196641 /nfs/dbraw/zinc/19/66/41/340196641.db2.gz DJONHBLFFOIHSH-SJCJKPOMSA-N 1 1 312.438 4.501 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)s1 ZINC000507115081 340207883 /nfs/dbraw/zinc/20/78/83/340207883.db2.gz DAQWPYNWGUBNJG-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)s1 ZINC000507115081 340207884 /nfs/dbraw/zinc/20/78/84/340207884.db2.gz DAQWPYNWGUBNJG-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO CC(C)[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000507147810 340209630 /nfs/dbraw/zinc/20/96/30/340209630.db2.gz YSNYISNOUWAMCH-UHFFFAOYSA-N 1 1 304.846 4.684 20 30 DJEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000507205359 340213199 /nfs/dbraw/zinc/21/31/99/340213199.db2.gz VZBONPUHWRESOA-ZDUSSCGKSA-N 1 1 318.342 4.770 20 30 DJEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1cc(C#N)ccc1F ZINC000507308083 340216862 /nfs/dbraw/zinc/21/68/62/340216862.db2.gz WRUIXQUQYSSPPA-UHFFFAOYSA-N 1 1 318.395 4.525 20 30 DJEDMO CC[N@@H+](Cc1cnc(C(C)C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508662698 340250016 /nfs/dbraw/zinc/25/00/16/340250016.db2.gz DLPSFJFNKONQGS-AWEZNQCLSA-N 1 1 313.470 4.721 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509440910 340269568 /nfs/dbraw/zinc/26/95/68/340269568.db2.gz ZQXJGAGTJBZSME-UHFFFAOYSA-N 1 1 302.849 4.759 20 30 DJEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000510258552 340294303 /nfs/dbraw/zinc/29/43/03/340294303.db2.gz ZQNDRJAHKIUZQO-WMZOPIPTSA-N 1 1 314.473 4.798 20 30 DJEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1ccc(F)cc1C#N ZINC000303191056 340311558 /nfs/dbraw/zinc/31/15/58/340311558.db2.gz MCGBCKXNWGQCSN-UHFFFAOYSA-N 1 1 318.395 4.525 20 30 DJEDMO N#CCCCC[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511138563 340322127 /nfs/dbraw/zinc/32/21/27/340322127.db2.gz NXEINMDWXCZQSN-HNNXBMFYSA-N 1 1 310.363 4.579 20 30 DJEDMO N#CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000511842186 340339867 /nfs/dbraw/zinc/33/98/67/340339867.db2.gz GEIAUVWGQZFKDU-BDTNDASRSA-N 1 1 316.448 4.521 20 30 DJEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(Cl)cc1 ZINC000512194907 340351976 /nfs/dbraw/zinc/35/19/76/340351976.db2.gz LPCDSUQPWJDGDU-CQSZACIVSA-N 1 1 319.832 4.565 20 30 DJEDMO C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1F ZINC000512284041 340355378 /nfs/dbraw/zinc/35/53/78/340355378.db2.gz WRGDGGPPNSYQPP-LBPRGKRZSA-N 1 1 314.791 4.691 20 30 DJEDMO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512631459 340369964 /nfs/dbraw/zinc/36/99/64/340369964.db2.gz RHYIFMXPVOJICS-ZIAGYGMSSA-N 1 1 312.388 4.508 20 30 DJEDMO Cc1c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)oc2ccccc12 ZINC000512655308 340371350 /nfs/dbraw/zinc/37/13/50/340371350.db2.gz SWMIEKMQMSASKE-CYBMUJFWSA-N 1 1 308.356 4.603 20 30 DJEDMO COc1ccc(C[N@@H+](CCCC(C)(C)C#N)[C@H](C)C2CC2)cc1 ZINC000174832394 340396991 /nfs/dbraw/zinc/39/69/91/340396991.db2.gz ZOSRGBUFHITWNA-MRXNPFEDSA-N 1 1 314.473 4.626 20 30 DJEDMO CC(C)(C)[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1F ZINC000540424817 340930989 /nfs/dbraw/zinc/93/09/89/340930989.db2.gz ZHIMMBURGLJPFO-GOSISDBHSA-N 1 1 314.379 4.713 20 30 DJEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(CC#N)cc2)C2CC2)o1 ZINC000542210453 341000440 /nfs/dbraw/zinc/00/04/40/341000440.db2.gz SIXMORGJTPMURI-FOIQADDNSA-N 1 1 320.436 4.634 20 30 DJEDMO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)s1 ZINC000542557734 341013555 /nfs/dbraw/zinc/01/35/55/341013555.db2.gz VOSSCSPERKAOFL-CYBMUJFWSA-N 1 1 308.809 4.653 20 30 DJEDMO N#CCC[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000130592462 341030676 /nfs/dbraw/zinc/03/06/76/341030676.db2.gz NXKLWVFLRTXBMA-QGZVFWFLSA-N 1 1 302.780 4.614 20 30 DJEDMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2CCCC#N)c1 ZINC000544125422 341071214 /nfs/dbraw/zinc/07/12/14/341071214.db2.gz IEMWAMNBPICOQB-SFTDATJTSA-N 1 1 320.436 4.530 20 30 DJEDMO Cc1ccc(C[N@H+](CCC(C)(C)C#N)Cc2ccco2)s1 ZINC000131293483 341074275 /nfs/dbraw/zinc/07/42/75/341074275.db2.gz ZGLSZROBIZXISV-UHFFFAOYSA-N 1 1 302.443 4.592 20 30 DJEDMO Cc1ccc(C[N@@H+](CCC(C)(C)C#N)Cc2ccco2)s1 ZINC000131293483 341074276 /nfs/dbraw/zinc/07/42/76/341074276.db2.gz ZGLSZROBIZXISV-UHFFFAOYSA-N 1 1 302.443 4.592 20 30 DJEDMO C[C@H](C#N)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000545192253 341112740 /nfs/dbraw/zinc/11/27/40/341112740.db2.gz PHZRBQKDBFGGEC-GFCCVEGCSA-N 1 1 318.779 4.521 20 30 DJEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2n1 ZINC000074354063 341144560 /nfs/dbraw/zinc/14/45/60/341144560.db2.gz PHXDBCFAWXKKEZ-UHFFFAOYSA-N 1 1 315.420 4.517 20 30 DJEDMO C[C@@H](c1ccco1)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000135282664 341235371 /nfs/dbraw/zinc/23/53/71/341235371.db2.gz WVQWSSDTLLDPTB-HNNXBMFYSA-N 1 1 308.425 4.806 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000548947040 341281963 /nfs/dbraw/zinc/28/19/63/341281963.db2.gz VTEHSLWKWPBLAD-QGZVFWFLSA-N 1 1 308.828 4.540 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000548947040 341281964 /nfs/dbraw/zinc/28/19/64/341281964.db2.gz VTEHSLWKWPBLAD-QGZVFWFLSA-N 1 1 308.828 4.540 20 30 DJEDMO CCC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000550030844 341308970 /nfs/dbraw/zinc/30/89/70/341308970.db2.gz DJCBTLKHVMYNJP-UHFFFAOYSA-N 1 1 304.846 4.685 20 30 DJEDMO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000178795409 341965248 /nfs/dbraw/zinc/96/52/48/341965248.db2.gz HLKUCIUCVOYWPY-SFHVURJKSA-N 1 1 318.342 4.607 20 30 DJEDMO COc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(F)c1 ZINC000090665881 332092449 /nfs/dbraw/zinc/09/24/49/332092449.db2.gz MPLCLFJLLNLKDG-IFXJQAMLSA-N 1 1 312.388 4.530 20 30 DJEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000090665585 332092541 /nfs/dbraw/zinc/09/25/41/332092541.db2.gz QHUWTLOZQHLLTE-UGSOOPFHSA-N 1 1 300.352 4.660 20 30 DJEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000090665752 332092559 /nfs/dbraw/zinc/09/25/59/332092559.db2.gz RZKYJDMKHQDRRB-SJKOYZFVSA-N 1 1 318.342 4.800 20 30 DJEDMO CCC[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000559432397 332258617 /nfs/dbraw/zinc/25/86/17/332258617.db2.gz RQKPILYFXFUBQU-UHFFFAOYSA-N 1 1 304.393 4.717 20 30 DJEDMO C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)c1ccc(C#N)cc1 ZINC000312630584 332665764 /nfs/dbraw/zinc/66/57/64/332665764.db2.gz TTZKNHAOSVQBMO-VIFPVBQESA-N 1 1 311.237 4.777 20 30 DJEDMO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000540385359 333266175 /nfs/dbraw/zinc/26/61/75/333266175.db2.gz ARIFQYUGVQPDHJ-SFHVURJKSA-N 1 1 316.807 4.838 20 30 DJEDMO CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497621112 333270749 /nfs/dbraw/zinc/27/07/49/333270749.db2.gz SDEHIFHHPUJGAQ-SQGPQFPESA-N 1 1 314.473 4.536 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC000160047435 334862778 /nfs/dbraw/zinc/86/27/78/334862778.db2.gz BPEDWPGDLDIKMU-PBHICJAKSA-N 1 1 316.470 4.648 20 30 DJEDMO N#CCC[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccccc1 ZINC000189170742 334888018 /nfs/dbraw/zinc/88/80/18/334888018.db2.gz BWPHYOJCHRBZHK-KRWDZBQOSA-N 1 1 302.780 4.614 20 30 DJEDMO CC(C)(C#N)CCCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375940237 337023781 /nfs/dbraw/zinc/02/37/81/337023781.db2.gz FHTGVOKYCUBBCU-UHFFFAOYSA-N 1 1 317.864 4.544 20 30 DJEDMO CCCc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000433015543 338176385 /nfs/dbraw/zinc/17/63/85/338176385.db2.gz XQJUJFUVRUXNNV-QGZVFWFLSA-N 1 1 313.470 4.620 20 30 DJEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1Cl ZINC000435771273 338248372 /nfs/dbraw/zinc/24/83/72/338248372.db2.gz VBHBOVZHDAVGFN-QGZVFWFLSA-N 1 1 316.832 4.570 20 30 DJEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1Cl ZINC000435771273 338248373 /nfs/dbraw/zinc/24/83/73/338248373.db2.gz VBHBOVZHDAVGFN-QGZVFWFLSA-N 1 1 316.832 4.570 20 30 DJEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(Cl)ccc1Cl ZINC000154728190 338250916 /nfs/dbraw/zinc/25/09/16/338250916.db2.gz QZAWYZUNONMTFR-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO CC(C)(C#N)CCC[N@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000437893573 338324370 /nfs/dbraw/zinc/32/43/70/338324370.db2.gz DGHGKNCZVZCKSN-UHFFFAOYSA-N 1 1 322.452 4.771 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000437893573 338324371 /nfs/dbraw/zinc/32/43/71/338324371.db2.gz DGHGKNCZVZCKSN-UHFFFAOYSA-N 1 1 322.452 4.771 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)c(Cl)c1 ZINC000439442926 338369667 /nfs/dbraw/zinc/36/96/67/338369667.db2.gz SMWLNZRHISFLGV-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)c(Cl)c1 ZINC000439442926 338369668 /nfs/dbraw/zinc/36/96/68/338369668.db2.gz SMWLNZRHISFLGV-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO CC[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(C#N)cc1 ZINC000447527088 338554103 /nfs/dbraw/zinc/55/41/03/338554103.db2.gz DZVZMAXHOHNHGB-INIZCTEOSA-N 1 1 323.421 4.516 20 30 DJEDMO CCC[N@@H+](CCCSCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000466721306 339214232 /nfs/dbraw/zinc/21/42/32/339214232.db2.gz UFHXSGKCQMMDQW-OAHLLOKOSA-N 1 1 316.470 4.853 20 30 DJEDMO N#CCSCCC[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000466725785 339214457 /nfs/dbraw/zinc/21/44/57/339214457.db2.gz YYTJLGSKJKANID-QGZVFWFLSA-N 1 1 322.905 4.904 20 30 DJEDMO C=C(C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000467744375 339245456 /nfs/dbraw/zinc/24/54/56/339245456.db2.gz TWLWRPGDDZUMRM-NSHDSACASA-N 1 1 312.360 4.526 20 30 DJEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000472447363 339372029 /nfs/dbraw/zinc/37/20/29/339372029.db2.gz LBHJINGIWGTWBI-UHFFFAOYSA-N 1 1 323.278 4.601 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000472456401 339372187 /nfs/dbraw/zinc/37/21/87/339372187.db2.gz WZNZPASTXNMBNM-UHFFFAOYSA-N 1 1 316.464 4.943 20 30 DJEDMO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000502305899 340099368 /nfs/dbraw/zinc/09/93/68/340099368.db2.gz YNDOXOADZFTBIC-XXYUJHKVSA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000502305899 340099369 /nfs/dbraw/zinc/09/93/69/340099369.db2.gz YNDOXOADZFTBIC-XXYUJHKVSA-N 1 1 322.374 4.733 20 30 DJEDMO CSc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502548751 340107523 /nfs/dbraw/zinc/10/75/23/340107523.db2.gz OPYDLLFKIKSQBM-UHFFFAOYSA-N 1 1 320.461 4.569 20 30 DJEDMO C[N@H+](Cc1c(Cl)oc2ccccc21)Cc1cccc(C#N)c1 ZINC000507204225 340213209 /nfs/dbraw/zinc/21/32/09/340213209.db2.gz RBMLKZYOHCKIMD-UHFFFAOYSA-N 1 1 310.784 4.590 20 30 DJEDMO C[N@@H+](Cc1c(Cl)oc2ccccc21)Cc1cccc(C#N)c1 ZINC000507204225 340213210 /nfs/dbraw/zinc/21/32/10/340213210.db2.gz RBMLKZYOHCKIMD-UHFFFAOYSA-N 1 1 310.784 4.590 20 30 DJEDMO C[N@H+](Cc1ccc(Oc2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000507607473 340226052 /nfs/dbraw/zinc/22/60/52/340226052.db2.gz RBTMPSXSOVZKIF-UHFFFAOYSA-N 1 1 318.376 4.576 20 30 DJEDMO C[N@@H+](Cc1ccc(Oc2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000507607473 340226053 /nfs/dbraw/zinc/22/60/53/340226053.db2.gz RBTMPSXSOVZKIF-UHFFFAOYSA-N 1 1 318.376 4.576 20 30 DJEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000507667385 340227567 /nfs/dbraw/zinc/22/75/67/340227567.db2.gz VEFOZHRTIXHQHP-JTQLQIEISA-N 1 1 309.196 4.651 20 30 DJEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000507667385 340227568 /nfs/dbraw/zinc/22/75/68/340227568.db2.gz VEFOZHRTIXHQHP-JTQLQIEISA-N 1 1 309.196 4.651 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC ZINC000508616707 340248234 /nfs/dbraw/zinc/24/82/34/340248234.db2.gz VZZNDNMOKPDDBD-INIZCTEOSA-N 1 1 308.425 4.540 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1OC ZINC000508616708 340248273 /nfs/dbraw/zinc/24/82/73/340248273.db2.gz VZZNDNMOKPDDBD-MRXNPFEDSA-N 1 1 308.425 4.540 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000508617830 340248430 /nfs/dbraw/zinc/24/84/30/340248430.db2.gz ZMSZVTDKDWEKPA-GFCCVEGCSA-N 1 1 322.330 4.753 20 30 DJEDMO CCOc1cccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000508668122 340250085 /nfs/dbraw/zinc/25/00/85/340250085.db2.gz WPMYNKKDQMOYTA-INIZCTEOSA-N 1 1 308.425 4.540 20 30 DJEDMO C=C(C)CC[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000509030711 340258728 /nfs/dbraw/zinc/25/87/28/340258728.db2.gz JRRJIOMHJUDOSQ-UHFFFAOYSA-N 1 1 304.484 4.504 20 30 DJEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)c1cc2ccccc2o1 ZINC000511896425 340342147 /nfs/dbraw/zinc/34/21/47/340342147.db2.gz OIKRIDDUGDSVSH-CYBMUJFWSA-N 1 1 310.422 4.949 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1F ZINC000512662403 340371782 /nfs/dbraw/zinc/37/17/82/340371782.db2.gz WYYGEXJIORATGX-CQSZACIVSA-N 1 1 320.367 4.808 20 30 DJEDMO CC(C)(C)[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(F)cc1 ZINC000513028160 340389323 /nfs/dbraw/zinc/38/93/23/340389323.db2.gz WETIUCUEPVJLKJ-UHFFFAOYSA-N 1 1 302.418 4.560 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000174866282 340397949 /nfs/dbraw/zinc/39/79/49/340397949.db2.gz KUPQZDZCWNWLPF-MRXNPFEDSA-N 1 1 322.905 4.760 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 ZINC000187193191 340518424 /nfs/dbraw/zinc/51/84/24/340518424.db2.gz BTZCEXBKLLQDAQ-LLVKDONJSA-N 1 1 305.208 4.716 20 30 DJEDMO CC(C)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(F)c(F)c1 ZINC000187436851 340520080 /nfs/dbraw/zinc/52/00/80/340520080.db2.gz QLTCTQYXSHKWKU-UHFFFAOYSA-N 1 1 320.770 4.515 20 30 DJEDMO CC(C)(C)[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1F ZINC000540424818 340930903 /nfs/dbraw/zinc/93/09/03/340930903.db2.gz ZHIMMBURGLJPFO-SFHVURJKSA-N 1 1 314.379 4.713 20 30 DJEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(CC#N)cc2)C2CC2)o1 ZINC000542210456 341000362 /nfs/dbraw/zinc/00/03/62/341000362.db2.gz SIXMORGJTPMURI-YWZLYKJASA-N 1 1 320.436 4.634 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1F ZINC000542834720 341022731 /nfs/dbraw/zinc/02/27/31/341022731.db2.gz WGLVKWMVOUCSNH-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO CC1(C)Cc2cccc(C[NH2+][C@@H](CCC#N)c3ccccc3)c2O1 ZINC000130548658 341027283 /nfs/dbraw/zinc/02/72/83/341027283.db2.gz ZNYYELVEYLIVNX-IBGZPJMESA-N 1 1 320.436 4.535 20 30 DJEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C1c2ccccc2-c2ccccc21 ZINC000544072194 341069320 /nfs/dbraw/zinc/06/93/20/341069320.db2.gz OVBCJRXQNSBDHA-UHFFFAOYSA-N 1 1 324.427 4.954 20 30 DJEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCSCC#N ZINC000074980965 341158674 /nfs/dbraw/zinc/15/86/74/341158674.db2.gz GXQKJBSVNWINCC-NSHDSACASA-N 1 1 317.285 4.633 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1c(Cl)cccc1OC)c1ccco1 ZINC000552281670 341383798 /nfs/dbraw/zinc/38/37/98/341383798.db2.gz GEGFEICPSZVAOC-HNNXBMFYSA-N 1 1 305.805 4.739 20 30 DJEDMO CC[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccc(C#N)cc1 ZINC000365484100 522923035 /nfs/dbraw/zinc/92/30/35/522923035.db2.gz OKSYVJRZIVAAGS-TZIWHRDSSA-N 1 1 316.404 4.982 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1ccc(F)c(F)c1 ZINC000286215868 335030410 /nfs/dbraw/zinc/03/04/10/335030410.db2.gz SBNRPVSLSLKYPX-UGSOOPFHSA-N 1 1 302.368 4.636 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cc(C)ccn1)c1ccc(F)c(F)c1 ZINC000286215862 335030417 /nfs/dbraw/zinc/03/04/17/335030417.db2.gz SBNRPVSLSLKYPX-ACJLOTCBSA-N 1 1 302.368 4.636 20 30 DJEDMO C[C@@H](c1ccccc1Cl)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000059334037 184137143 /nfs/dbraw/zinc/13/71/43/184137143.db2.gz UAGXDRFWVSWGDV-AWEZNQCLSA-N 1 1 310.828 4.937 20 30 DJEDMO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000059334037 184137144 /nfs/dbraw/zinc/13/71/44/184137144.db2.gz UAGXDRFWVSWGDV-AWEZNQCLSA-N 1 1 310.828 4.937 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC000518595919 332089713 /nfs/dbraw/zinc/08/97/13/332089713.db2.gz FTPYQKKSFSGVGR-UHFFFAOYSA-N 1 1 300.405 4.734 20 30 DJEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C1CCC(C(C)(C)C)CC1 ZINC000410342526 332113110 /nfs/dbraw/zinc/11/31/10/332113110.db2.gz KWRSIRRIMOARND-UHFFFAOYSA-N 1 1 320.521 4.624 20 30 DJEDMO N#CC1(CCC[N@H+]2CCC[C@H]2CC2CCCCC2)CCOCC1 ZINC000410342111 332113253 /nfs/dbraw/zinc/11/32/53/332113253.db2.gz ZVLCQQJGDUVAQF-IBGZPJMESA-N 1 1 318.505 4.522 20 30 DJEDMO CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000569553514 332136928 /nfs/dbraw/zinc/13/69/28/332136928.db2.gz WXIPZPHEEDIDSS-SJKOYZFVSA-N 1 1 300.352 4.638 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000174808867 333091036 /nfs/dbraw/zinc/09/10/36/333091036.db2.gz PNOBKIQYQBWPOT-HNNXBMFYSA-N 1 1 313.470 4.763 20 30 DJEDMO C=CCC[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000514087323 333260218 /nfs/dbraw/zinc/26/02/18/333260218.db2.gz GOBAHFUTMCXWMK-HXUWFJFHSA-N 1 1 324.468 4.673 20 30 DJEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000532570563 336255894 /nfs/dbraw/zinc/25/58/94/336255894.db2.gz AUPKTGHNGTXFON-CYBMUJFWSA-N 1 1 305.447 4.537 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1n[nH]cc1C)c1ccc(C(F)(F)F)cc1 ZINC000352829237 336267269 /nfs/dbraw/zinc/26/72/69/336267269.db2.gz FYDAKOODLRWHLG-OAHLLOKOSA-N 1 1 323.362 4.534 20 30 DJEDMO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1cccc(C#N)c1 ZINC000193001813 336286728 /nfs/dbraw/zinc/28/67/28/336286728.db2.gz ZXHJFCWBELGGSN-FOIQADDNSA-N 1 1 302.377 4.591 20 30 DJEDMO N#Cc1ccc(F)c(CNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000301448141 336307414 /nfs/dbraw/zinc/30/74/14/336307414.db2.gz DTDAAKLSFDCOJF-UHFFFAOYSA-N 1 1 311.747 4.511 20 30 DJEDMO C=CCC[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000514105919 336357826 /nfs/dbraw/zinc/35/78/26/336357826.db2.gz UNGZPNUFQJYCPG-HXUWFJFHSA-N 1 1 324.468 4.541 20 30 DJEDMO C=CCCCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376559763 337036913 /nfs/dbraw/zinc/03/69/13/337036913.db2.gz ZCPCSRXMNHGLOP-INIZCTEOSA-N 1 1 303.450 4.611 20 30 DJEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000426391570 338030177 /nfs/dbraw/zinc/03/01/77/338030177.db2.gz RHFBOWBAXVNTCH-INIZCTEOSA-N 1 1 301.842 4.590 20 30 DJEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000428298326 338046193 /nfs/dbraw/zinc/04/61/93/338046193.db2.gz BUTMADVHOYAVOV-SFHVURJKSA-N 1 1 314.791 4.592 20 30 DJEDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000432893002 338172092 /nfs/dbraw/zinc/17/20/92/338172092.db2.gz XNAPLMMMJMVAMB-UHFFFAOYSA-N 1 1 322.452 4.618 20 30 DJEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1Cl ZINC000435771272 338248411 /nfs/dbraw/zinc/24/84/11/338248411.db2.gz VBHBOVZHDAVGFN-KRWDZBQOSA-N 1 1 316.832 4.570 20 30 DJEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1Cl ZINC000435771272 338248412 /nfs/dbraw/zinc/24/84/12/338248412.db2.gz VBHBOVZHDAVGFN-KRWDZBQOSA-N 1 1 316.832 4.570 20 30 DJEDMO C=C(C)[C@H]([NH2+]Cc1cc(F)ccc1OC)c1ccc(F)c(F)c1 ZINC000462901318 339096909 /nfs/dbraw/zinc/09/69/09/339096909.db2.gz CGNDTEAEDXIIOX-SFHVURJKSA-N 1 1 321.342 4.520 20 30 DJEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463435825 339117758 /nfs/dbraw/zinc/11/77/58/339117758.db2.gz UTDCRLJWNFQJDP-KGLIPLIRSA-N 1 1 304.400 4.759 20 30 DJEDMO CC(C)(C)C[N@@H+](CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000468409774 339262241 /nfs/dbraw/zinc/26/22/41/339262241.db2.gz VOYMVILSMYTXDM-UHFFFAOYSA-N 1 1 304.400 4.617 20 30 DJEDMO CCOc1ccccc1C1=CC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000472242886 339367371 /nfs/dbraw/zinc/36/73/71/339367371.db2.gz TYXWASPYMSJORI-UHFFFAOYSA-N 1 1 312.457 4.504 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000472264155 339368075 /nfs/dbraw/zinc/36/80/75/339368075.db2.gz VROBAOOEMXTABY-UHFFFAOYSA-N 1 1 311.256 4.681 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000472264155 339368076 /nfs/dbraw/zinc/36/80/76/339368076.db2.gz VROBAOOEMXTABY-UHFFFAOYSA-N 1 1 311.256 4.681 20 30 DJEDMO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000498798667 340023417 /nfs/dbraw/zinc/02/34/17/340023417.db2.gz ZBRHGXZBBZNWIO-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000501489152 340082106 /nfs/dbraw/zinc/08/21/06/340082106.db2.gz FDPNHUAVGGCJRB-GFCCVEGCSA-N 1 1 316.857 4.784 20 30 DJEDMO Cc1ccc(C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000505121633 340162070 /nfs/dbraw/zinc/16/20/70/340162070.db2.gz ZWBKTFKUKAXJED-UHFFFAOYSA-N 1 1 316.404 4.759 20 30 DJEDMO N#Cc1csc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000506328078 340192490 /nfs/dbraw/zinc/19/24/90/340192490.db2.gz SQZYSNSCEHFFCS-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000507255104 340215843 /nfs/dbraw/zinc/21/58/43/340215843.db2.gz YNZZTNGYJBBPNG-CYBMUJFWSA-N 1 1 318.342 4.770 20 30 DJEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000507331981 340217377 /nfs/dbraw/zinc/21/73/77/340217377.db2.gz GYGNUEQCNJTSLN-LLVKDONJSA-N 1 1 324.371 4.832 20 30 DJEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccs2)cc1OC ZINC000507433505 340219387 /nfs/dbraw/zinc/21/93/87/340219387.db2.gz LVWXBQMNBLJMBK-AWEZNQCLSA-N 1 1 317.454 4.515 20 30 DJEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000508529762 340245927 /nfs/dbraw/zinc/24/59/27/340245927.db2.gz DCFCVSMBIXJBCD-UHFFFAOYSA-N 1 1 320.436 4.557 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000508617834 340248316 /nfs/dbraw/zinc/24/83/16/340248316.db2.gz ZMSZVTDKDWEKPA-LBPRGKRZSA-N 1 1 322.330 4.753 20 30 DJEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000509366709 340267376 /nfs/dbraw/zinc/26/73/76/340267376.db2.gz PRUNKVZLLLAJIQ-QGZVFWFLSA-N 1 1 311.473 4.763 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)o1 ZINC000511762201 340337440 /nfs/dbraw/zinc/33/74/40/340337440.db2.gz KREVMRALDWXKLS-HXUWFJFHSA-N 1 1 302.377 4.642 20 30 DJEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc2ccccc21 ZINC000542210176 341000167 /nfs/dbraw/zinc/00/01/67/341000167.db2.gz QVNDTIINVMBOFM-UHFFFAOYSA-N 1 1 300.405 4.538 20 30 DJEDMO C[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(Cl)c1Cl ZINC000543206004 341036644 /nfs/dbraw/zinc/03/66/44/341036644.db2.gz JULFRRVMJPITRW-UHFFFAOYSA-N 1 1 319.235 4.691 20 30 DJEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(Cl)c1Cl ZINC000543206004 341036645 /nfs/dbraw/zinc/03/66/45/341036645.db2.gz JULFRRVMJPITRW-UHFFFAOYSA-N 1 1 319.235 4.691 20 30 DJEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CCCC#N)c1 ZINC000544125419 341071220 /nfs/dbraw/zinc/07/12/20/341071220.db2.gz IEMWAMNBPICOQB-LEWJYISDSA-N 1 1 320.436 4.530 20 30 DJEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CCCSCC#N)C1CC1 ZINC000072515140 341088747 /nfs/dbraw/zinc/08/87/47/341088747.db2.gz YSBPGYAPZYUMKD-CYBMUJFWSA-N 1 1 308.878 4.512 20 30 DJEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCSCC#N ZINC000074980966 341158588 /nfs/dbraw/zinc/15/85/88/341158588.db2.gz GXQKJBSVNWINCC-LLVKDONJSA-N 1 1 317.285 4.633 20 30 DJEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000076733955 341213245 /nfs/dbraw/zinc/21/32/45/341213245.db2.gz LQVOYHMUPLQAOL-UHFFFAOYSA-N 1 1 322.452 4.580 20 30 DJEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135395491 341238674 /nfs/dbraw/zinc/23/86/74/341238674.db2.gz CENSYJJSNSWARZ-CJNGLKHVSA-N 1 1 310.363 4.782 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1Cl ZINC000135668616 341243521 /nfs/dbraw/zinc/24/35/21/341243521.db2.gz ZSQZOCHSUISELE-VIFPVBQESA-N 1 1 311.237 4.777 20 30 DJEDMO N#Cc1cccc(C2([NH2+]Cc3c(Cl)oc4ccccc43)CC2)c1 ZINC000551228403 341334518 /nfs/dbraw/zinc/33/45/18/341334518.db2.gz UDAWRBVKNWPGJE-UHFFFAOYSA-N 1 1 322.795 4.737 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccco1 ZINC000552068386 341367144 /nfs/dbraw/zinc/36/71/44/341367144.db2.gz UXRACRDUHUWUDK-MRXNPFEDSA-N 1 1 317.816 4.665 20 30 DJEDMO C=CCC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccco1 ZINC000552250063 341381286 /nfs/dbraw/zinc/38/12/86/341381286.db2.gz UFGONFORAJXXPZ-IBGZPJMESA-N 1 1 312.457 4.528 20 30 DJEDMO C=CCC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccco1 ZINC000552250063 341381287 /nfs/dbraw/zinc/38/12/87/341381287.db2.gz UFGONFORAJXXPZ-IBGZPJMESA-N 1 1 312.457 4.528 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1c(Cl)cccc1OC)c1ccco1 ZINC000552281671 341383863 /nfs/dbraw/zinc/38/38/63/341383863.db2.gz GEGFEICPSZVAOC-OAHLLOKOSA-N 1 1 305.805 4.739 20 30 DJEDMO CC[C@@H](C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000554972034 341470982 /nfs/dbraw/zinc/47/09/82/341470982.db2.gz UFDRYFWBYVYXRF-BZNIZROVSA-N 1 1 319.861 4.545 20 30 DJEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000097006619 185396565 /nfs/dbraw/zinc/39/65/65/185396565.db2.gz QWENVFLKJAWROL-UHFFFAOYSA-N 1 1 322.452 4.580 20 30 DJEDMO COc1ccc([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)cc1 ZINC000409447322 332031842 /nfs/dbraw/zinc/03/18/42/332031842.db2.gz DKDORQBCDBRVNY-GOSISDBHSA-N 1 1 300.446 4.552 20 30 DJEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000569400509 332077039 /nfs/dbraw/zinc/07/70/39/332077039.db2.gz KSMRKBJMUDHOKM-AWEZNQCLSA-N 1 1 316.351 4.539 20 30 DJEDMO CCCC[N@@H+](CCCC1(C#N)CCOCC1)C1CCCCC1 ZINC000410339851 332113143 /nfs/dbraw/zinc/11/31/43/332113143.db2.gz VELPCWPECASRDI-UHFFFAOYSA-N 1 1 306.494 4.522 20 30 DJEDMO CC[N@@H+](Cc1cnc2ccccc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000410333565 332113446 /nfs/dbraw/zinc/11/34/46/332113446.db2.gz SUSYALYXXVGNEE-MRXNPFEDSA-N 1 1 315.420 4.690 20 30 DJEDMO CC[N@@H+](CCCCC1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000410333064 332113501 /nfs/dbraw/zinc/11/35/01/332113501.db2.gz OQMPSGDEEGMQAZ-QGZVFWFLSA-N 1 1 314.473 4.538 20 30 DJEDMO CC[N@@H+](Cc1cnc2ccccc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000410333564 332113616 /nfs/dbraw/zinc/11/36/16/332113616.db2.gz SUSYALYXXVGNEE-INIZCTEOSA-N 1 1 315.420 4.690 20 30 DJEDMO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000569553512 332137012 /nfs/dbraw/zinc/13/70/12/332137012.db2.gz WXIPZPHEEDIDSS-PXAZEXFGSA-N 1 1 300.352 4.638 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1ncc(CSC)s1)c1ccccc1 ZINC000293248637 335102661 /nfs/dbraw/zinc/10/26/61/335102661.db2.gz LWGLYMIRYCLOHF-MRXNPFEDSA-N 1 1 318.511 4.803 20 30 DJEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCC(C)(C)C#N ZINC000174811280 333091021 /nfs/dbraw/zinc/09/10/21/333091021.db2.gz RDYZFYYQTIPIEX-CYBMUJFWSA-N 1 1 301.459 4.619 20 30 DJEDMO CCOc1ccccc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497619287 333270498 /nfs/dbraw/zinc/27/04/98/333270498.db2.gz RSJYWVFZZSUVHB-INIZCTEOSA-N 1 1 308.425 4.540 20 30 DJEDMO CC[N@@H+](Cc1cc(Cl)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000495061537 333351993 /nfs/dbraw/zinc/35/19/93/333351993.db2.gz TWFXNBGLHJLVGV-LBPRGKRZSA-N 1 1 304.846 4.856 20 30 DJEDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000063068057 333397239 /nfs/dbraw/zinc/39/72/39/333397239.db2.gz RWYIFHIWXDBNML-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000063068057 333397240 /nfs/dbraw/zinc/39/72/40/333397240.db2.gz RWYIFHIWXDBNML-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1Cl ZINC000021018447 333412396 /nfs/dbraw/zinc/41/23/96/333412396.db2.gz PTDQWKQAONFRJP-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000337457229 333449544 /nfs/dbraw/zinc/44/95/44/333449544.db2.gz JKGCDAQIHYSETO-UZLBHIALSA-N 1 1 322.456 4.694 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cncc(C)c1)c1ccc(F)c(F)c1 ZINC000186452372 335157879 /nfs/dbraw/zinc/15/78/79/335157879.db2.gz AIPQDYRMGZWMAM-ACJLOTCBSA-N 1 1 302.368 4.636 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccc(F)c(F)c1 ZINC000186451967 335157958 /nfs/dbraw/zinc/15/79/58/335157958.db2.gz NSEHNJCQGMIMDD-ACJLOTCBSA-N 1 1 319.399 4.710 20 30 DJEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511832 334198540 /nfs/dbraw/zinc/19/85/40/334198540.db2.gz IBHIDYVDYHJYBK-UKPHBRMFSA-N 1 1 322.374 4.577 20 30 DJEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511837 334198543 /nfs/dbraw/zinc/19/85/43/334198543.db2.gz IBHIDYVDYHJYBK-UNEWFSDZSA-N 1 1 322.374 4.577 20 30 DJEDMO N#Cc1cc(F)ccc1C[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000303924395 334347383 /nfs/dbraw/zinc/34/73/83/334347383.db2.gz PIOKBYDFOOIBEF-UHFFFAOYSA-N 1 1 312.388 4.625 20 30 DJEDMO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000303924395 334347385 /nfs/dbraw/zinc/34/73/85/334347385.db2.gz PIOKBYDFOOIBEF-UHFFFAOYSA-N 1 1 312.388 4.625 20 30 DJEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000532579024 336256206 /nfs/dbraw/zinc/25/62/06/336256206.db2.gz RJAYFHUKXTZFSZ-MRXNPFEDSA-N 1 1 313.445 4.784 20 30 DJEDMO N#Cc1ccc(F)c(CNc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC000301414804 336305197 /nfs/dbraw/zinc/30/51/97/336305197.db2.gz ALYWBJCCNSKUPX-UHFFFAOYSA-N 1 1 311.747 4.511 20 30 DJEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000582871897 337209529 /nfs/dbraw/zinc/20/95/29/337209529.db2.gz NVADQUFBNKTNJQ-YLHGKKIISA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000582871897 337209530 /nfs/dbraw/zinc/20/95/30/337209530.db2.gz NVADQUFBNKTNJQ-YLHGKKIISA-N 1 1 322.374 4.733 20 30 DJEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000161511577 337590309 /nfs/dbraw/zinc/59/03/09/337590309.db2.gz WTFSBALIFHNLGM-LBPRGKRZSA-N 1 1 321.342 4.520 20 30 DJEDMO C#CC[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1ccccc1 ZINC000270259543 337639648 /nfs/dbraw/zinc/63/96/48/337639648.db2.gz VRHFGIIBEOEFRL-INIZCTEOSA-N 1 1 321.392 4.590 20 30 DJEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cnccc1C)c1ccc(F)c(F)c1 ZINC000274724264 337660608 /nfs/dbraw/zinc/66/06/08/337660608.db2.gz AEAJNWAVNNETPX-SCLBCKFNSA-N 1 1 302.368 4.636 20 30 DJEDMO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428309706 338046685 /nfs/dbraw/zinc/04/66/85/338046685.db2.gz MVSDIJWLOAKQPG-KRWDZBQOSA-N 1 1 302.780 4.592 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000432239844 338149911 /nfs/dbraw/zinc/14/99/11/338149911.db2.gz HIKQAASRQVYWBN-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C=CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)Cc1cccs1 ZINC000437592329 338315400 /nfs/dbraw/zinc/31/54/00/338315400.db2.gz RGAQTWMZWAYKHO-UHFFFAOYSA-N 1 1 300.402 4.557 20 30 DJEDMO C=CC[N@H+](Cc1cc2c(cccc2F)[nH]1)Cc1cccs1 ZINC000437592329 338315401 /nfs/dbraw/zinc/31/54/01/338315401.db2.gz RGAQTWMZWAYKHO-UHFFFAOYSA-N 1 1 300.402 4.557 20 30 DJEDMO C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000438991010 338357961 /nfs/dbraw/zinc/35/79/61/338357961.db2.gz LFTIKEGSRMUYGC-LQCXBHPOSA-N 1 1 324.512 4.516 20 30 DJEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000439428657 338369074 /nfs/dbraw/zinc/36/90/74/338369074.db2.gz YZSPVQOETPYTQU-AWEZNQCLSA-N 1 1 323.827 4.666 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000439428657 338369075 /nfs/dbraw/zinc/36/90/75/338369075.db2.gz YZSPVQOETPYTQU-AWEZNQCLSA-N 1 1 323.827 4.666 20 30 DJEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cc(F)ccc1F ZINC000439432655 338369283 /nfs/dbraw/zinc/36/92/83/338369283.db2.gz UVEPCBZNGNOMOW-KRWDZBQOSA-N 1 1 320.770 4.731 20 30 DJEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)c1cccc(O)c1 ZINC000439449967 338369725 /nfs/dbraw/zinc/36/97/25/338369725.db2.gz KFLPCRDDDGKGFO-CYBMUJFWSA-N 1 1 314.816 4.500 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)c1cccc(O)c1 ZINC000439449967 338369726 /nfs/dbraw/zinc/36/97/26/338369726.db2.gz KFLPCRDDDGKGFO-CYBMUJFWSA-N 1 1 314.816 4.500 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1ccc(F)c(F)c1 ZINC000462901317 339096822 /nfs/dbraw/zinc/09/68/22/339096822.db2.gz CGNDTEAEDXIIOX-GOSISDBHSA-N 1 1 321.342 4.520 20 30 DJEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463304841 339114287 /nfs/dbraw/zinc/11/42/87/339114287.db2.gz WRQPHKXOLQCJCE-IMFGXOCKSA-N 1 1 311.473 4.555 20 30 DJEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(C#N)ccc2F)o1 ZINC000464840902 339156841 /nfs/dbraw/zinc/15/68/41/339156841.db2.gz WKQJXVBWMKWOEG-UGSOOPFHSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cc(C#N)ccc2F)o1 ZINC000464840902 339156842 /nfs/dbraw/zinc/15/68/42/339156842.db2.gz WKQJXVBWMKWOEG-UGSOOPFHSA-N 1 1 312.388 4.572 20 30 DJEDMO N#CCSCCC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000466727564 339214412 /nfs/dbraw/zinc/21/44/12/339214412.db2.gz CYELOQLNGZXRBR-UHFFFAOYSA-N 1 1 320.477 4.607 20 30 DJEDMO C=C(C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000467744373 339245494 /nfs/dbraw/zinc/24/54/94/339245494.db2.gz TWLWRPGDDZUMRM-LLVKDONJSA-N 1 1 312.360 4.526 20 30 DJEDMO C=C[C@@](C)(CC)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000468004391 339250968 /nfs/dbraw/zinc/25/09/68/339250968.db2.gz LGGCLUXWJWKABL-FQEVSTJZSA-N 1 1 314.473 4.589 20 30 DJEDMO C=CCCC[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000468285663 339258886 /nfs/dbraw/zinc/25/88/86/339258886.db2.gz KAMHRIMKHCBHAY-UHFFFAOYSA-N 1 1 304.821 4.701 20 30 DJEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000469995952 339307499 /nfs/dbraw/zinc/30/74/99/339307499.db2.gz HHKLPUXDNSHIJF-OAHLLOKOSA-N 1 1 324.390 4.651 20 30 DJEDMO CC[N@H+](CCC#N)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470170197 339312525 /nfs/dbraw/zinc/31/25/25/339312525.db2.gz QFVHNRYYEKOIAD-INIZCTEOSA-N 1 1 308.425 4.659 20 30 DJEDMO CC[N@@H+](CCC#N)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470170197 339312526 /nfs/dbraw/zinc/31/25/26/339312526.db2.gz QFVHNRYYEKOIAD-INIZCTEOSA-N 1 1 308.425 4.659 20 30 DJEDMO C=C(C)C[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccccc1 ZINC000470911030 339331135 /nfs/dbraw/zinc/33/11/35/339331135.db2.gz OHKQMTNCPPBXKA-UHFFFAOYSA-N 1 1 308.381 4.513 20 30 DJEDMO C=C(C)C[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccccc1 ZINC000470911030 339331136 /nfs/dbraw/zinc/33/11/36/339331136.db2.gz OHKQMTNCPPBXKA-UHFFFAOYSA-N 1 1 308.381 4.513 20 30 DJEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccccc1OC ZINC000472448388 339372062 /nfs/dbraw/zinc/37/20/62/339372062.db2.gz HLHBYJAGKQBNQK-INIZCTEOSA-N 1 1 302.462 4.798 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000472445443 339372130 /nfs/dbraw/zinc/37/21/30/339372130.db2.gz FEFTWUMSQPOOHD-UHFFFAOYSA-N 1 1 324.390 5.000 20 30 DJEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(C(C)C)s1)c1ccc(F)c(F)c1 ZINC000479406142 339533467 /nfs/dbraw/zinc/53/34/67/339533467.db2.gz BECYUXMOHVFSTK-MRXNPFEDSA-N 1 1 322.424 4.952 20 30 DJEDMO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCCCC(C)(C)C#N)C2)c1 ZINC000502903088 340116142 /nfs/dbraw/zinc/11/61/42/340116142.db2.gz LWJSYVFYVZUDSZ-LJQANCHMSA-N 1 1 320.427 4.725 20 30 DJEDMO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCCCC(C)(C)C#N)C2)c1 ZINC000502903088 340116143 /nfs/dbraw/zinc/11/61/43/340116143.db2.gz LWJSYVFYVZUDSZ-LJQANCHMSA-N 1 1 320.427 4.725 20 30 DJEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000507172004 340210856 /nfs/dbraw/zinc/21/08/56/340210856.db2.gz YMXAVTXOQDDDNM-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000507172004 340210857 /nfs/dbraw/zinc/21/08/57/340210857.db2.gz YMXAVTXOQDDDNM-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO C[N@@H+](Cc1ccccc1C#N)Cc1ccccc1-c1ccccc1 ZINC000507237172 340215119 /nfs/dbraw/zinc/21/51/19/340215119.db2.gz VUKRDEROUCVZMV-UHFFFAOYSA-N 1 1 312.416 4.857 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000507255105 340215934 /nfs/dbraw/zinc/21/59/34/340215934.db2.gz YNZZTNGYJBBPNG-ZDUSSCGKSA-N 1 1 318.342 4.770 20 30 DJEDMO CCOc1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000507689874 340228326 /nfs/dbraw/zinc/22/83/26/340228326.db2.gz UZOHVRDJHBHASU-INIZCTEOSA-N 1 1 308.425 4.540 20 30 DJEDMO N#Cc1csc(C[N@H+]2CC=C(c3ccccc3Cl)CC2)c1 ZINC000507694718 340228464 /nfs/dbraw/zinc/22/84/64/340228464.db2.gz NCKQIRIOIUIATK-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO N#Cc1csc(C[N@@H+]2CC=C(c3ccccc3Cl)CC2)c1 ZINC000507694718 340228465 /nfs/dbraw/zinc/22/84/65/340228465.db2.gz NCKQIRIOIUIATK-UHFFFAOYSA-N 1 1 314.841 4.562 20 30 DJEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000508990086 340257206 /nfs/dbraw/zinc/25/72/06/340257206.db2.gz DFBUJPUNNGKWEU-LLVKDONJSA-N 1 1 300.265 4.614 20 30 DJEDMO CC[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@H](C)C#N ZINC000509811990 340279946 /nfs/dbraw/zinc/27/99/46/340279946.db2.gz LTXCMPSOSITFHP-CYBMUJFWSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@H](C)C#N ZINC000509811990 340279947 /nfs/dbraw/zinc/27/99/47/340279947.db2.gz LTXCMPSOSITFHP-CYBMUJFWSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)C[C@@H](C)C#N ZINC000509831834 340281004 /nfs/dbraw/zinc/28/10/04/340281004.db2.gz JPVFXMFPCIYFNI-ZDUSSCGKSA-N 1 1 302.418 4.536 20 30 DJEDMO CC[N@H+](Cc1ccc(F)c(-c2cccs2)c1)C[C@@H](C)C#N ZINC000509831834 340281005 /nfs/dbraw/zinc/28/10/05/340281005.db2.gz JPVFXMFPCIYFNI-ZDUSSCGKSA-N 1 1 302.418 4.536 20 30 DJEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000510258551 340294332 /nfs/dbraw/zinc/29/43/32/340294332.db2.gz ZQNDRJAHKIUZQO-SJLPKXTDSA-N 1 1 314.473 4.798 20 30 DJEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000511104141 340320942 /nfs/dbraw/zinc/32/09/42/340320942.db2.gz ANTCFRGFODXPRH-INIZCTEOSA-N 1 1 304.865 4.677 20 30 DJEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511895667 340342163 /nfs/dbraw/zinc/34/21/63/340342163.db2.gz YEFVTTLVGDDJBY-AQNXPRMDSA-N 1 1 310.485 4.975 20 30 DJEDMO C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1F ZINC000512284037 340355272 /nfs/dbraw/zinc/35/52/72/340355272.db2.gz WRGDGGPPNSYQPP-GFCCVEGCSA-N 1 1 314.791 4.691 20 30 DJEDMO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1F ZINC000512287207 340355563 /nfs/dbraw/zinc/35/55/63/340355563.db2.gz GOESBZOZIRAEOH-GFCCVEGCSA-N 1 1 314.791 4.691 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1F ZINC000512618831 340369197 /nfs/dbraw/zinc/36/91/97/340369197.db2.gz JYFWAHZRFAMAMP-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641086 340370429 /nfs/dbraw/zinc/37/04/29/340370429.db2.gz DDBKVPJCWSNMJX-ADLMAVQZSA-N 1 1 318.342 4.777 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1F ZINC000512662402 340371687 /nfs/dbraw/zinc/37/16/87/340371687.db2.gz WYYGEXJIORATGX-AWEZNQCLSA-N 1 1 320.367 4.808 20 30 DJEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819654 340396693 /nfs/dbraw/zinc/39/66/93/340396693.db2.gz ZVUSMHWZZPHPQN-PBHICJAKSA-N 1 1 300.446 4.697 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(Cl)c1Cl ZINC000538215879 340813725 /nfs/dbraw/zinc/81/37/25/340813725.db2.gz PLOPMYXXRMIEIO-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC3(C#N)CC3)cc2)c1 ZINC000538391804 340820253 /nfs/dbraw/zinc/82/02/53/340820253.db2.gz VIRRZPWIGXJDRO-KRWDZBQOSA-N 1 1 320.436 4.528 20 30 DJEDMO C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000540709079 340942704 /nfs/dbraw/zinc/94/27/04/340942704.db2.gz IUMSTNUMRJMOJH-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211995 341000313 /nfs/dbraw/zinc/00/03/13/341000313.db2.gz AUIJAPHIQOCQLH-AWEZNQCLSA-N 1 1 321.449 4.555 20 30 DJEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211995 341000314 /nfs/dbraw/zinc/00/03/14/341000314.db2.gz AUIJAPHIQOCQLH-AWEZNQCLSA-N 1 1 321.449 4.555 20 30 DJEDMO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)s1 ZINC000542557738 341013691 /nfs/dbraw/zinc/01/36/91/341013691.db2.gz VOSSCSPERKAOFL-ZDUSSCGKSA-N 1 1 308.809 4.653 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1F ZINC000542834712 341022729 /nfs/dbraw/zinc/02/27/29/341022729.db2.gz WGLVKWMVOUCSNH-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@@H](C#N)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000545192254 341112679 /nfs/dbraw/zinc/11/26/79/341112679.db2.gz PHZRBQKDBFGGEC-LBPRGKRZSA-N 1 1 318.779 4.521 20 30 DJEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000076735539 341213251 /nfs/dbraw/zinc/21/32/51/341213251.db2.gz WFODEIRXLPUDHG-UHFFFAOYSA-N 1 1 316.489 4.770 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170006 341287805 /nfs/dbraw/zinc/28/78/05/341287805.db2.gz FGTCWBVQYQJWIF-CJNGLKHVSA-N 1 1 322.374 4.674 20 30 DJEDMO C=C(C)[C@H]([NH2+]Cc1cc(OC)ccc1F)c1ccc(F)c(F)c1 ZINC000549805126 341303540 /nfs/dbraw/zinc/30/35/40/341303540.db2.gz UVDPSOXPKKOGLS-SFHVURJKSA-N 1 1 321.342 4.520 20 30 DJEDMO C[N@@H+](CCCF)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551411090 341340841 /nfs/dbraw/zinc/34/08/41/341340841.db2.gz NXYYWGXFTFYTQQ-UHFFFAOYSA-N 1 1 317.248 4.516 20 30 DJEDMO C=CCC[C@H]([NH2+]Cc1ccccc1Br)c1ccco1 ZINC000552246312 341381092 /nfs/dbraw/zinc/38/10/92/341381092.db2.gz QGJMCHRWCCAGOZ-HNNXBMFYSA-N 1 1 320.230 4.839 20 30 DJEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000180143784 526680069 /nfs/dbraw/zinc/68/00/69/526680069.db2.gz QWGUJGNAHAQZDE-LBPRGKRZSA-N 1 1 319.499 4.701 20 30 DJEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180143784 526680072 /nfs/dbraw/zinc/68/00/72/526680072.db2.gz QWGUJGNAHAQZDE-LBPRGKRZSA-N 1 1 319.499 4.701 20 30 DJEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000442669377 335002506 /nfs/dbraw/zinc/00/25/06/335002506.db2.gz AYRMPEHNJQYXEC-AEFFLSMTSA-N 1 1 322.477 4.733 20 30 DJEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000090665587 332092397 /nfs/dbraw/zinc/09/23/97/332092397.db2.gz QHUWTLOZQHLLTE-SCLBCKFNSA-N 1 1 300.352 4.660 20 30 DJEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 ZINC000410335567 332113817 /nfs/dbraw/zinc/11/38/17/332113817.db2.gz SIAFYBXQHMCELB-UHFFFAOYSA-N 1 1 315.420 4.517 20 30 DJEDMO N#CC1(CCC[N@H+]2CCCC3(C2)CCCCCC3)CCOCC1 ZINC000410389310 332122532 /nfs/dbraw/zinc/12/25/32/332122532.db2.gz DPRBFKZLUCTWHX-UHFFFAOYSA-N 1 1 318.505 4.523 20 30 DJEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000112540519 332314366 /nfs/dbraw/zinc/31/43/66/332314366.db2.gz MXMDMKTYIGCGGC-DLBZAZTESA-N 1 1 319.408 4.573 20 30 DJEDMO N#Cc1ccccc1C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000560599416 332367601 /nfs/dbraw/zinc/36/76/01/332367601.db2.gz DURZBGWNLCCBCW-NRFANRHFSA-N 1 1 302.421 4.600 20 30 DJEDMO CC[N@H+](Cc1ccc(F)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000497620834 333270628 /nfs/dbraw/zinc/27/06/28/333270628.db2.gz PWDGFLHLDDGINZ-CYBMUJFWSA-N 1 1 316.807 4.934 20 30 DJEDMO CC[N@@H+](Cc1ccc(F)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000497620834 333270629 /nfs/dbraw/zinc/27/06/29/333270629.db2.gz PWDGFLHLDDGINZ-CYBMUJFWSA-N 1 1 316.807 4.934 20 30 DJEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccc(F)c(F)c1 ZINC000186451979 335157995 /nfs/dbraw/zinc/15/79/95/335157995.db2.gz NSEHNJCQGMIMDD-UGSOOPFHSA-N 1 1 319.399 4.710 20 30 DJEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C)c1ccccc1 ZINC000292343402 334186923 /nfs/dbraw/zinc/18/69/23/334186923.db2.gz XBOZNJYAPSDLDF-SFHVURJKSA-N 1 1 314.473 4.559 20 30 DJEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1C ZINC000303958508 334352319 /nfs/dbraw/zinc/35/23/19/334352319.db2.gz YKTUURXHVPMPDX-FQEVSTJZSA-N 1 1 308.400 4.651 20 30 DJEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(F)cccc1Cl ZINC000341703185 334471803 /nfs/dbraw/zinc/47/18/03/334471803.db2.gz CPXLPZCHXWOXQB-GOSISDBHSA-N 1 1 314.791 4.518 20 30 DJEDMO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000103139570 336239569 /nfs/dbraw/zinc/23/95/69/336239569.db2.gz RMVMWYBTPHWTMO-QGZVFWFLSA-N 1 1 302.780 4.592 20 30 DJEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000532623519 336257604 /nfs/dbraw/zinc/25/76/04/336257604.db2.gz IKHZNJRDQWSQER-WOJBJXKFSA-N 1 1 316.404 4.705 20 30 DJEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000532623519 336257605 /nfs/dbraw/zinc/25/76/05/336257605.db2.gz IKHZNJRDQWSQER-WOJBJXKFSA-N 1 1 316.404 4.705 20 30 DJEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCc1ccc(C#N)cc1 ZINC000532744016 336269138 /nfs/dbraw/zinc/26/91/38/336269138.db2.gz CQLZWWZQOGJPPI-KRWDZBQOSA-N 1 1 319.452 4.858 20 30 DJEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCc1ccc(C#N)cc1 ZINC000532744016 336269139 /nfs/dbraw/zinc/26/91/39/336269139.db2.gz CQLZWWZQOGJPPI-KRWDZBQOSA-N 1 1 319.452 4.858 20 30 DJEDMO C[C@@H](C[N@@H+](C)Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000514100037 336323448 /nfs/dbraw/zinc/32/34/48/336323448.db2.gz SQCZTLUNAXWUST-SFHVURJKSA-N 1 1 322.452 4.605 20 30 DJEDMO C=CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000582513856 337099752 /nfs/dbraw/zinc/09/97/52/337099752.db2.gz RKOGHPLEYTXLMY-UHFFFAOYSA-N 1 1 307.224 4.577 20 30 DJEDMO C=CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000582513856 337099751 /nfs/dbraw/zinc/09/97/51/337099751.db2.gz RKOGHPLEYTXLMY-UHFFFAOYSA-N 1 1 307.224 4.577 20 30 DJEDMO CCSc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428312666 338046795 /nfs/dbraw/zinc/04/67/95/338046795.db2.gz GBBUDXHZDDOZJU-ZDUSSCGKSA-N 1 1 314.429 4.660 20 30 DJEDMO CCSc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428312665 338046833 /nfs/dbraw/zinc/04/68/33/338046833.db2.gz GBBUDXHZDDOZJU-CYBMUJFWSA-N 1 1 314.429 4.660 20 30 DJEDMO N#CCCCOc1cccc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000438346685 338340562 /nfs/dbraw/zinc/34/05/62/338340562.db2.gz PYHXOTGQTCHMLS-UHFFFAOYSA-N 1 1 312.457 4.525 20 30 DJEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000439429226 338369051 /nfs/dbraw/zinc/36/90/51/338369051.db2.gz HRLVFCIGOUZGDV-UHFFFAOYSA-N 1 1 317.219 4.644 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 ZINC000439456380 338370100 /nfs/dbraw/zinc/37/01/00/338370100.db2.gz YITPKFXZHMFBOK-LBPRGKRZSA-N 1 1 310.784 4.809 20 30 DJEDMO N#Cc1ccccc1C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000449451349 338625462 /nfs/dbraw/zinc/62/54/62/338625462.db2.gz QZLSQAIQPDYTHF-GOSISDBHSA-N 1 1 314.791 4.592 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760410 339151707 /nfs/dbraw/zinc/15/17/07/339151707.db2.gz GZKRNSGMGHBDCY-AEFFLSMTSA-N 1 1 322.477 4.733 20 30 DJEDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000464787079 339153644 /nfs/dbraw/zinc/15/36/44/339153644.db2.gz WQNYNRYAUDFUGZ-LJQANCHMSA-N 1 1 322.477 4.553 20 30 DJEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cc(C#N)ccc2F)o1 ZINC000464840900 339156666 /nfs/dbraw/zinc/15/66/66/339156666.db2.gz WKQJXVBWMKWOEG-FZKQIMNGSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2cc(C#N)ccc2F)o1 ZINC000464840900 339156667 /nfs/dbraw/zinc/15/66/67/339156667.db2.gz WKQJXVBWMKWOEG-FZKQIMNGSA-N 1 1 312.388 4.572 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000464874588 339159679 /nfs/dbraw/zinc/15/96/79/339159679.db2.gz BPLXODIPUXZUSX-UHFFFAOYSA-N 1 1 316.464 4.943 20 30 DJEDMO CCC[N@@H+](CCCSCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000466721305 339214257 /nfs/dbraw/zinc/21/42/57/339214257.db2.gz UFHXSGKCQMMDQW-HNNXBMFYSA-N 1 1 316.470 4.853 20 30 DJEDMO N#CCSCCC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000466726791 339214424 /nfs/dbraw/zinc/21/44/24/339214424.db2.gz FBAQBRNBMPAXMN-UHFFFAOYSA-N 1 1 322.905 4.731 20 30 DJEDMO N#Cc1ccc(C[N@H+](Cc2cccc(C(F)F)c2)C2CC2)cc1 ZINC000470717599 339325836 /nfs/dbraw/zinc/32/58/36/339325836.db2.gz LGVJYWKCCMFRIN-UHFFFAOYSA-N 1 1 312.363 4.660 20 30 DJEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ncccc1C(F)(F)F ZINC000470913581 339331068 /nfs/dbraw/zinc/33/10/68/339331068.db2.gz QIFPAHCRAALBTG-UHFFFAOYSA-N 1 1 320.358 4.679 20 30 DJEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ncccc1C(F)(F)F ZINC000470913581 339331069 /nfs/dbraw/zinc/33/10/69/339331069.db2.gz QIFPAHCRAALBTG-UHFFFAOYSA-N 1 1 320.358 4.679 20 30 DJEDMO CSc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000471007409 339334284 /nfs/dbraw/zinc/33/42/84/339334284.db2.gz PUCDXMRKCKXHES-UHFFFAOYSA-N 1 1 316.857 4.566 20 30 DJEDMO CSc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000471007409 339334285 /nfs/dbraw/zinc/33/42/85/339334285.db2.gz PUCDXMRKCKXHES-UHFFFAOYSA-N 1 1 316.857 4.566 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000471717187 339352137 /nfs/dbraw/zinc/35/21/37/339352137.db2.gz YGULVZCKPJSNHL-OAQYLSRUSA-N 1 1 318.464 4.964 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000472426782 339371694 /nfs/dbraw/zinc/37/16/94/339371694.db2.gz AYOHKGNQXSVLNO-UHFFFAOYSA-N 1 1 302.437 4.900 20 30 DJEDMO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCCCC(C)(C)C#N)C2)c1 ZINC000502903087 340116118 /nfs/dbraw/zinc/11/61/18/340116118.db2.gz LWJSYVFYVZUDSZ-IBGZPJMESA-N 1 1 320.427 4.725 20 30 DJEDMO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCCCC(C)(C)C#N)C2)c1 ZINC000502903087 340116119 /nfs/dbraw/zinc/11/61/19/340116119.db2.gz LWJSYVFYVZUDSZ-IBGZPJMESA-N 1 1 320.427 4.725 20 30 DJEDMO CC1(C#N)CC[NH+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000506016462 340183459 /nfs/dbraw/zinc/18/34/59/340183459.db2.gz CHIQMBYEWNEIHA-HNNXBMFYSA-N 1 1 309.240 4.606 20 30 DJEDMO CC1(C#N)CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000506040482 340184091 /nfs/dbraw/zinc/18/40/91/340184091.db2.gz BUNHVWZLUIIDEE-UHFFFAOYSA-N 1 1 324.399 4.744 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000506327918 340192395 /nfs/dbraw/zinc/19/23/95/340192395.db2.gz XFVGPNTVMOQUSV-NRFANRHFSA-N 1 1 318.464 4.964 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000506601651 340197537 /nfs/dbraw/zinc/19/75/37/340197537.db2.gz LUMOHUOXFWYFJN-UHFFFAOYSA-N 1 1 324.390 5.000 20 30 DJEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000507123339 340208404 /nfs/dbraw/zinc/20/84/04/340208404.db2.gz YVHJGMVQUXCDIY-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000507123339 340208405 /nfs/dbraw/zinc/20/84/05/340208405.db2.gz YVHJGMVQUXCDIY-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000507204169 340213301 /nfs/dbraw/zinc/21/33/01/340213301.db2.gz QIQQHQJDTPBMAV-ZDUSSCGKSA-N 1 1 318.342 4.770 20 30 DJEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1ccccc1 ZINC000507242208 340215239 /nfs/dbraw/zinc/21/52/39/340215239.db2.gz KJQFEOLMTOJJCZ-UHFFFAOYSA-N 1 1 312.416 4.857 20 30 DJEDMO CC[N@@H+](Cc1cccc2[nH]ccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000508602479 340247607 /nfs/dbraw/zinc/24/76/07/340247607.db2.gz DWQAYYZMFAOKMR-OAHLLOKOSA-N 1 1 303.409 4.623 20 30 DJEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000510258544 340294330 /nfs/dbraw/zinc/29/43/30/340294330.db2.gz ZQNDRJAHKIUZQO-AEFFLSMTSA-N 1 1 314.473 4.798 20 30 DJEDMO N#CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000511842187 340339875 /nfs/dbraw/zinc/33/98/75/340339875.db2.gz GEIAUVWGQZFKDU-BHDDXSALSA-N 1 1 316.448 4.521 20 30 DJEDMO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512631456 340370006 /nfs/dbraw/zinc/37/00/06/340370006.db2.gz RHYIFMXPVOJICS-KBPBESRZSA-N 1 1 312.388 4.508 20 30 DJEDMO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cc(F)ccc1F ZINC000512650155 340370985 /nfs/dbraw/zinc/37/09/85/340370985.db2.gz XNSOOBDSBQMHNZ-VOJFVSQTSA-N 1 1 318.342 4.777 20 30 DJEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000174811660 340396598 /nfs/dbraw/zinc/39/65/98/340396598.db2.gz TUBWLWNPGHZUIV-GOSISDBHSA-N 1 1 300.446 4.552 20 30 DJEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819675 340396739 /nfs/dbraw/zinc/39/67/39/340396739.db2.gz ZVUSMHWZZPHPQN-WMLDXEAASA-N 1 1 300.446 4.697 20 30 DJEDMO COc1ccc(C[N@@H+](CCCC(C)(C)C#N)[C@@H](C)C2CC2)cc1 ZINC000174832384 340396927 /nfs/dbraw/zinc/39/69/27/340396927.db2.gz ZOSRGBUFHITWNA-INIZCTEOSA-N 1 1 314.473 4.626 20 30 DJEDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCCC(C)(C)C#N ZINC000174835373 340397168 /nfs/dbraw/zinc/39/71/68/340397168.db2.gz CEWBCSYCUVUYRF-CYBMUJFWSA-N 1 1 323.278 4.772 20 30 DJEDMO CC(C)Sc1cccc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000194997178 340598153 /nfs/dbraw/zinc/59/81/53/340598153.db2.gz DFXLTNAHYALNFA-UHFFFAOYSA-N 1 1 308.878 4.576 20 30 DJEDMO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccccc1C#N ZINC000539334942 340881495 /nfs/dbraw/zinc/88/14/95/340881495.db2.gz PSWUJIXRFAFEJR-FQEVSTJZSA-N 1 1 322.452 4.834 20 30 DJEDMO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000542693997 341017503 /nfs/dbraw/zinc/01/75/03/341017503.db2.gz IUIJYSNVHMSGNW-LLVKDONJSA-N 1 1 324.371 4.683 20 30 DJEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000546579166 341173368 /nfs/dbraw/zinc/17/33/68/341173368.db2.gz IZMNTLWJTYXAFP-GFCCVEGCSA-N 1 1 304.846 4.850 20 30 DJEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000135280759 341235342 /nfs/dbraw/zinc/23/53/42/341235342.db2.gz ZJHHFMIMJQLFLG-UHFFFAOYSA-N 1 1 324.390 4.652 20 30 DJEDMO CC(C)Oc1ccc2ccccc2c1C[N@H+](C)CC(C)(C)C#N ZINC000552085266 341368269 /nfs/dbraw/zinc/36/82/69/341368269.db2.gz XHSGEEOZAXITJV-UHFFFAOYSA-N 1 1 310.441 4.609 20 30 DJEDMO CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)CC(C)(C)C#N ZINC000552085266 341368270 /nfs/dbraw/zinc/36/82/70/341368270.db2.gz XHSGEEOZAXITJV-UHFFFAOYSA-N 1 1 310.441 4.609 20 30 DJEDMO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1c(F)cccc1Cl ZINC000564427942 341501640 /nfs/dbraw/zinc/50/16/40/341501640.db2.gz OOZODMMHOZGUEW-PIGZYNQJSA-N 1 1 314.791 4.689 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1cc(C(CC)CC)no1)c1ccco1 ZINC000286310183 335034616 /nfs/dbraw/zinc/03/46/16/335034616.db2.gz XCDRWBADQPLJBU-MRXNPFEDSA-N 1 1 302.418 4.968 20 30 DJEDMO CC(C)c1[nH+]ccn1Cc1cccc(NCC(C)(C)CCC#N)c1 ZINC000156735838 332799638 /nfs/dbraw/zinc/79/96/38/332799638.db2.gz RNFLQKVJWJDKTB-UHFFFAOYSA-N 1 1 324.472 4.797 20 30 DJEDMO COc1cccc([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)c1 ZINC000409447356 332031756 /nfs/dbraw/zinc/03/17/56/332031756.db2.gz SODUAMPJRAPRTE-GOSISDBHSA-N 1 1 300.446 4.552 20 30 DJEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000090665883 332092377 /nfs/dbraw/zinc/09/23/77/332092377.db2.gz DYBFEQBJPGHXTD-UGSOOPFHSA-N 1 1 300.352 4.660 20 30 DJEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(-c2cccnc2)c1 ZINC000093101166 332134362 /nfs/dbraw/zinc/13/43/62/332134362.db2.gz AAOQBCDLESBXQU-UHFFFAOYSA-N 1 1 307.441 4.510 20 30 DJEDMO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000569553515 332136974 /nfs/dbraw/zinc/13/69/74/332136974.db2.gz WXIPZPHEEDIDSS-YVEFUNNKSA-N 1 1 300.352 4.638 20 30 DJEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCCCC#N ZINC000119405428 332371211 /nfs/dbraw/zinc/37/12/11/332371211.db2.gz SGHROUCHIKDQOU-OAHLLOKOSA-N 1 1 313.470 4.805 20 30 DJEDMO COc1ccc([C@H](CCC#N)[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000562593191 332607895 /nfs/dbraw/zinc/60/78/95/332607895.db2.gz BMIRNGNLHIQHOE-IBGZPJMESA-N 1 1 320.392 4.576 20 30 DJEDMO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000540385358 333265942 /nfs/dbraw/zinc/26/59/42/333265942.db2.gz ARIFQYUGVQPDHJ-GOSISDBHSA-N 1 1 316.807 4.838 20 30 DJEDMO COCCCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000277720976 334090209 /nfs/dbraw/zinc/09/02/09/334090209.db2.gz NJUDNYPRSLVBHA-UHFFFAOYSA-N 1 1 316.489 4.635 20 30 DJEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1ccccc1 ZINC000292343399 334186969 /nfs/dbraw/zinc/18/69/69/334186969.db2.gz XBOZNJYAPSDLDF-GOSISDBHSA-N 1 1 314.473 4.559 20 30 DJEDMO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1cccc(C#N)c1 ZINC000193001790 336286731 /nfs/dbraw/zinc/28/67/31/336286731.db2.gz ZXHJFCWBELGGSN-QRWLVFNGSA-N 1 1 302.377 4.591 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360034584 337084002 /nfs/dbraw/zinc/08/40/02/337084002.db2.gz DMVLVSCONFHVNU-INIZCTEOSA-N 1 1 311.429 4.685 20 30 DJEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@H]1c1ccccc1 ZINC000582632728 337116384 /nfs/dbraw/zinc/11/63/84/337116384.db2.gz CRSUFVRZEOPEFP-RTWAWAEBSA-N 1 1 323.484 4.646 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000173904054 337138842 /nfs/dbraw/zinc/13/88/42/337138842.db2.gz JWERPTDZTZRENC-CABCVRRESA-N 1 1 317.392 4.625 20 30 DJEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)sc1Cl)CC2 ZINC000572387974 337626386 /nfs/dbraw/zinc/62/63/86/337626386.db2.gz DLMXYFQMUQLQRI-ZDUSSCGKSA-N 1 1 323.248 4.704 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000107321668 337828671 /nfs/dbraw/zinc/82/86/71/337828671.db2.gz HKIRZGQMRQANRS-CQSZACIVSA-N 1 1 319.433 4.533 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000428298222 338046230 /nfs/dbraw/zinc/04/62/30/338046230.db2.gz DYKPUWGCRICCAE-NSHDSACASA-N 1 1 322.305 4.567 20 30 DJEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1C(F)(F)F ZINC000428310087 338046605 /nfs/dbraw/zinc/04/66/05/338046605.db2.gz FXSYIRFWAGXEQA-NSHDSACASA-N 1 1 322.305 4.567 20 30 DJEDMO C=CC[N@H+](C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000428372383 338049206 /nfs/dbraw/zinc/04/92/06/338049206.db2.gz IMRGNVGWEMTBIS-UHFFFAOYSA-N 1 1 317.864 4.576 20 30 DJEDMO CC(C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428477302 338054528 /nfs/dbraw/zinc/05/45/28/338054528.db2.gz ZAPUBEXGSLYNCW-SFHVURJKSA-N 1 1 316.807 4.838 20 30 DJEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)c2ccccc21 ZINC000428969487 338067172 /nfs/dbraw/zinc/06/71/72/338067172.db2.gz RSCAXVIMDDJDFN-CYBMUJFWSA-N 1 1 322.358 4.840 20 30 DJEDMO CCCc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000433015542 338176359 /nfs/dbraw/zinc/17/63/59/338176359.db2.gz XQJUJFUVRUXNNV-KRWDZBQOSA-N 1 1 313.470 4.620 20 30 DJEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433241980 338187470 /nfs/dbraw/zinc/18/74/70/338187470.db2.gz FOPCRURLOSLEOA-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000435295803 338236695 /nfs/dbraw/zinc/23/66/95/338236695.db2.gz CLGJQZFCEFAZNS-QGZVFWFLSA-N 1 1 302.418 4.588 20 30 DJEDMO CC(C)(C#N)CCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437506767 338311984 /nfs/dbraw/zinc/31/19/84/338311984.db2.gz IWHNIZYQXGHJCX-UHFFFAOYSA-N 1 1 311.256 4.681 20 30 DJEDMO CC(C)(C#N)CCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437506767 338311985 /nfs/dbraw/zinc/31/19/85/338311985.db2.gz IWHNIZYQXGHJCX-UHFFFAOYSA-N 1 1 311.256 4.681 20 30 DJEDMO C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000438991009 338357876 /nfs/dbraw/zinc/35/78/76/338357876.db2.gz LFTIKEGSRMUYGC-KBRMVUAJSA-N 1 1 324.512 4.516 20 30 DJEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000439428659 338369146 /nfs/dbraw/zinc/36/91/46/338369146.db2.gz YZSPVQOETPYTQU-CQSZACIVSA-N 1 1 323.827 4.666 20 30 DJEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000439428659 338369147 /nfs/dbraw/zinc/36/91/47/338369147.db2.gz YZSPVQOETPYTQU-CQSZACIVSA-N 1 1 323.827 4.666 20 30 DJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c(Cl)c1 ZINC000439442928 338369571 /nfs/dbraw/zinc/36/95/71/338369571.db2.gz SMWLNZRHISFLGV-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)c(Cl)c1 ZINC000439442928 338369572 /nfs/dbraw/zinc/36/95/72/338369572.db2.gz SMWLNZRHISFLGV-MRXNPFEDSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)c(Cl)c1 ZINC000439441120 338369691 /nfs/dbraw/zinc/36/96/91/338369691.db2.gz PBMNDNKUTMJTQB-OAHLLOKOSA-N 1 1 302.830 4.610 20 30 DJEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1Cl ZINC000439463661 338370333 /nfs/dbraw/zinc/37/03/33/338370333.db2.gz SMMBQAGXBUFUGF-JTQLQIEISA-N 1 1 323.198 4.855 20 30 DJEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl ZINC000160532650 338552676 /nfs/dbraw/zinc/55/26/76/338552676.db2.gz HNGLLXMTXKAGQV-SNVBAGLBSA-N 1 1 323.198 4.855 20 30 DJEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000463301120 339114186 /nfs/dbraw/zinc/11/41/86/339114186.db2.gz OEWZMTDOZQZNOG-KSZLIROESA-N 1 1 311.473 4.868 20 30 DJEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000463301120 339114187 /nfs/dbraw/zinc/11/41/87/339114187.db2.gz OEWZMTDOZQZNOG-KSZLIROESA-N 1 1 311.473 4.868 20 30 DJEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000464839186 339156435 /nfs/dbraw/zinc/15/64/35/339156435.db2.gz PDOXXODOVQAVAA-SCLBCKFNSA-N 1 1 312.388 4.572 20 30 DJEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000464839186 339156436 /nfs/dbraw/zinc/15/64/36/339156436.db2.gz PDOXXODOVQAVAA-SCLBCKFNSA-N 1 1 312.388 4.572 20 30 DJEDMO C=C(C)C[N@@H+](CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000468272892 339258351 /nfs/dbraw/zinc/25/83/51/339258351.db2.gz PNPPTLBTLAMVDL-UHFFFAOYSA-N 1 1 304.821 4.701 20 30 DJEDMO C=C(C)C[N@H+](CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000468272892 339258352 /nfs/dbraw/zinc/25/83/52/339258352.db2.gz PNPPTLBTLAMVDL-UHFFFAOYSA-N 1 1 304.821 4.701 20 30 DJEDMO C[C@@H]([N@@H+](CCCSCC#N)Cc1ccccc1)C(C)(C)C ZINC000469446653 339289527 /nfs/dbraw/zinc/28/95/27/339289527.db2.gz QYLJYBHAUWFPCY-MRXNPFEDSA-N 1 1 304.503 4.570 20 30 DJEDMO Cc1ccc2c(C3=CC[N@@H+](CCCC(C)(C)C#N)CC3)c[nH]c2c1 ZINC000472442505 339371781 /nfs/dbraw/zinc/37/17/81/339371781.db2.gz BHBUODDKPQFPCQ-UHFFFAOYSA-N 1 1 321.468 4.895 20 30 DJEDMO C=C(C)[C@H]([NH2+]Cc1cnc(C(C)C)s1)c1ccc(F)c(F)c1 ZINC000479406140 339533489 /nfs/dbraw/zinc/53/34/89/339533489.db2.gz BECYUXMOHVFSTK-INIZCTEOSA-N 1 1 322.424 4.952 20 30 DJEDMO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000485000937 339697020 /nfs/dbraw/zinc/69/70/20/339697020.db2.gz AILMHBLUPPMQPS-ZDUSSCGKSA-N 1 1 308.356 4.603 20 30 DJEDMO N#CC1(CCC[N@H+]2CCCC3(CCCCC3)CC2)CCOCC1 ZINC000499707262 340043079 /nfs/dbraw/zinc/04/30/79/340043079.db2.gz HNSALVIZXMYJKB-UHFFFAOYSA-N 1 1 318.505 4.523 20 30 DJEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000501256908 340077424 /nfs/dbraw/zinc/07/74/24/340077424.db2.gz JPPYOONOJKJWRO-CQSZACIVSA-N 1 1 320.392 4.506 20 30 DJEDMO N#CC1(C[N@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)CC1 ZINC000501535446 340082857 /nfs/dbraw/zinc/08/28/57/340082857.db2.gz WMVAPYMZBOZULD-UHFFFAOYSA-N 1 1 322.374 4.754 20 30 DJEDMO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000502305850 340099352 /nfs/dbraw/zinc/09/93/52/340099352.db2.gz YNDOXOADZFTBIC-KADHNRKRSA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000502305850 340099353 /nfs/dbraw/zinc/09/93/53/340099353.db2.gz YNDOXOADZFTBIC-KADHNRKRSA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000502305898 340099363 /nfs/dbraw/zinc/09/93/63/340099363.db2.gz YNDOXOADZFTBIC-SSUFTNFISA-N 1 1 322.374 4.733 20 30 DJEDMO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000502305898 340099364 /nfs/dbraw/zinc/09/93/64/340099364.db2.gz YNDOXOADZFTBIC-SSUFTNFISA-N 1 1 322.374 4.733 20 30 DJEDMO C[C@@H](c1cccc(F)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502497760 340106084 /nfs/dbraw/zinc/10/60/84/340106084.db2.gz YSFMHVNNQRSTFC-HNNXBMFYSA-N 1 1 306.384 4.548 20 30 DJEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000505249759 340164800 /nfs/dbraw/zinc/16/48/00/340164800.db2.gz VFLLCEJZBJNWRD-UHFFFAOYSA-N 1 1 300.446 4.524 20 30 DJEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc(CC(C)C)s1 ZINC000506017822 340183476 /nfs/dbraw/zinc/18/34/76/340183476.db2.gz VKLFXUVZZIUJBB-UHFFFAOYSA-N 1 1 306.500 4.591 20 30 DJEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc(CC(C)C)s1 ZINC000506017822 340183477 /nfs/dbraw/zinc/18/34/77/340183477.db2.gz VKLFXUVZZIUJBB-UHFFFAOYSA-N 1 1 306.500 4.591 20 30 DJEDMO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000506035589 340183868 /nfs/dbraw/zinc/18/38/68/340183868.db2.gz HLLDAHFHTOAMJI-OAHLLOKOSA-N 1 1 321.262 4.526 20 30 DJEDMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000506126287 340186335 /nfs/dbraw/zinc/18/63/35/340186335.db2.gz RSSXJOPHLWYDHQ-UHFFFAOYSA-N 1 1 310.422 4.560 20 30 DJEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000506584702 340197208 /nfs/dbraw/zinc/19/72/08/340197208.db2.gz NHXDPJIFWZXOCW-UHFFFAOYSA-N 1 1 324.390 5.000 20 30 DJEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000507174503 340211161 /nfs/dbraw/zinc/21/11/61/340211161.db2.gz RONZUFFJTHQADB-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000507174503 340211162 /nfs/dbraw/zinc/21/11/62/340211162.db2.gz RONZUFFJTHQADB-INIZCTEOSA-N 1 1 302.830 4.610 20 30 DJEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000507204168 340213166 /nfs/dbraw/zinc/21/31/66/340213166.db2.gz QIQQHQJDTPBMAV-CYBMUJFWSA-N 1 1 318.342 4.770 20 30 DJEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000507251590 340215792 /nfs/dbraw/zinc/21/57/92/340215792.db2.gz JDJKZGMLXDFLML-GFCCVEGCSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000507331982 340217516 /nfs/dbraw/zinc/21/75/16/340217516.db2.gz GYGNUEQCNJTSLN-NSHDSACASA-N 1 1 324.371 4.832 20 30 DJEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000508607699 340248003 /nfs/dbraw/zinc/24/80/03/340248003.db2.gz BWACDZNJLWCCOD-MRXNPFEDSA-N 1 1 308.425 4.540 20 30 DJEDMO CC[N@@H+](Cc1cnc(C(C)C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000508662705 340249966 /nfs/dbraw/zinc/24/99/66/340249966.db2.gz DLPSFJFNKONQGS-CQSZACIVSA-N 1 1 313.470 4.721 20 30 DJEDMO C=C(C)CC[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000509008160 340258135 /nfs/dbraw/zinc/25/81/35/340258135.db2.gz VZJPJESHHRBMEJ-UHFFFAOYSA-N 1 1 319.836 4.568 20 30 DJEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C)nc2ccccc12 ZINC000510221572 340293081 /nfs/dbraw/zinc/29/30/81/340293081.db2.gz IMCLWOIBYOHKMG-UHFFFAOYSA-N 1 1 302.421 4.731 20 30 DJEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000511104156 340320609 /nfs/dbraw/zinc/32/06/09/340320609.db2.gz ANTCFRGFODXPRH-MRXNPFEDSA-N 1 1 304.865 4.677 20 30 DJEDMO CSc1ccccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000511116055 340321376 /nfs/dbraw/zinc/32/13/76/340321376.db2.gz PQHWNUSFUVRNSJ-MOPGFXCFSA-N 1 1 322.477 4.680 20 30 DJEDMO N#CCCCC[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511138564 340322091 /nfs/dbraw/zinc/32/20/91/340322091.db2.gz NXEINMDWXCZQSN-OAHLLOKOSA-N 1 1 310.363 4.579 20 30 DJEDMO CSc1ccccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000511202110 340323868 /nfs/dbraw/zinc/32/38/68/340323868.db2.gz XPOVIEMQZAZYDH-UHFFFAOYSA-N 1 1 320.461 4.569 20 30 DJEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)c1cc2ccccc2o1 ZINC000511764659 340337692 /nfs/dbraw/zinc/33/76/92/340337692.db2.gz HOVXTZUIIHLFPT-CQSZACIVSA-N 1 1 308.381 4.871 20 30 DJEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(Cl)cc1 ZINC000512194906 340351851 /nfs/dbraw/zinc/35/18/51/340351851.db2.gz LPCDSUQPWJDGDU-AWEZNQCLSA-N 1 1 319.832 4.565 20 30 DJEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1Cl ZINC000512628985 340369812 /nfs/dbraw/zinc/36/98/12/340369812.db2.gz HHJMXCGMSUXLGC-MNOVXSKESA-N 1 1 320.770 4.902 20 30 DJEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404073809 340376892 /nfs/dbraw/zinc/37/68/92/340376892.db2.gz MOCATDTZYVVSGF-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404082525 340377481 /nfs/dbraw/zinc/37/74/81/340377481.db2.gz PZBPPFDKUAEMPI-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404082525 340377482 /nfs/dbraw/zinc/37/74/82/340377482.db2.gz PZBPPFDKUAEMPI-LBPRGKRZSA-N 1 1 302.780 4.544 20 30 DJEDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177857289 340444396 /nfs/dbraw/zinc/44/43/96/340444396.db2.gz ZAURLZWIFSROLP-CYBMUJFWSA-N 1 1 308.356 4.603 20 30 DJEDMO C=C(C)[C@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 ZINC000187374512 340519451 /nfs/dbraw/zinc/51/94/51/340519451.db2.gz WYWQFDXVSJUVCL-SFHVURJKSA-N 1 1 321.342 4.520 20 30 DJEDMO CCC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1F ZINC000539328710 340881341 /nfs/dbraw/zinc/88/13/41/340881341.db2.gz ZCNZKQURWHWXSY-QGZVFWFLSA-N 1 1 318.342 4.607 20 30 DJEDMO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1Cl ZINC000540385837 340928927 /nfs/dbraw/zinc/92/89/27/340928927.db2.gz JJJPDTARKGDMHU-SFHVURJKSA-N 1 1 316.807 4.838 20 30 DJEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000543207690 341036854 /nfs/dbraw/zinc/03/68/54/341036854.db2.gz IAASNVQDXNXWOL-FQEVSTJZSA-N 1 1 308.400 4.619 20 30 DJEDMO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)ccc1F ZINC000549157671 341287563 /nfs/dbraw/zinc/28/75/63/341287563.db2.gz HROBZDWPEQTNBS-FNLKRUPLSA-N 1 1 320.411 4.608 20 30 DJEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170008 341287796 /nfs/dbraw/zinc/28/77/96/341287796.db2.gz FGTCWBVQYQJWIF-XJKSGUPXSA-N 1 1 322.374 4.674 20 30 DJEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000550210431 341312481 /nfs/dbraw/zinc/31/24/81/341312481.db2.gz BXEZYGUKXOGEID-INIZCTEOSA-N 1 1 322.427 4.616 20 30 DJEDMO C=CCC[C@@H]([NH2+]Cc1ccccc1Br)c1ccco1 ZINC000552246313 341381099 /nfs/dbraw/zinc/38/10/99/341381099.db2.gz QGJMCHRWCCAGOZ-OAHLLOKOSA-N 1 1 320.230 4.839 20 30 DJEDMO