smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000135111488 1020775384 /nfs/dbraw/zinc/77/53/84/1020775384.db2.gz VNQUQJCXXOACBM-FQEVSTJZSA-N 1 3 349.478 3.521 20 30 EHEDHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000135111488 1020775392 /nfs/dbraw/zinc/77/53/92/1020775392.db2.gz VNQUQJCXXOACBM-FQEVSTJZSA-N 1 3 349.478 3.521 20 30 EHEDHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000594723208 1036174196 /nfs/dbraw/zinc/17/41/96/1036174196.db2.gz YVLPSRXUGKHYNL-KRWDZBQOSA-N 1 3 334.467 3.516 20 30 EHEDHO C=CCCC[C@H](C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512449705 1039186369 /nfs/dbraw/zinc/18/63/69/1039186369.db2.gz KHIHWRUJISRVCJ-RBBKRZOGSA-N 1 3 341.543 3.623 20 30 EHEDHO C=CCCC[C@H](C)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449705 1039186383 /nfs/dbraw/zinc/18/63/83/1039186383.db2.gz KHIHWRUJISRVCJ-RBBKRZOGSA-N 1 3 341.543 3.623 20 30 EHEDHO N#CCOc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000731211732 1130777048 /nfs/dbraw/zinc/77/70/48/1130777048.db2.gz YEWAXNHTPDQLNO-UHFFFAOYSA-N 1 3 341.499 3.677 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001171222119 1137348339 /nfs/dbraw/zinc/34/83/39/1137348339.db2.gz DXXHDZMWJNPPRZ-SXSPYAJSSA-N 1 3 345.490 3.553 20 30 EHEDHO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000883390997 1137859217 /nfs/dbraw/zinc/85/92/17/1137859217.db2.gz ZCYZGTHEDSKGLS-PXNSSMCTSA-N 1 3 346.515 3.659 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268843434 1141005690 /nfs/dbraw/zinc/00/56/90/1141005690.db2.gz DEWPLMPRSKJUOV-UGKGYDQZSA-N 1 3 341.543 3.527 20 30 EHEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271065754 1141303999 /nfs/dbraw/zinc/30/39/99/1141303999.db2.gz JCOFRNGHZROXTF-JWFWCLOMSA-N 1 3 325.500 3.853 20 30 EHEDHO N#C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000442777924 1025468310 /nfs/dbraw/zinc/46/83/10/1025468310.db2.gz GOIHQTIUQICYDT-AEFFLSMTSA-N 1 3 331.891 3.834 20 30 EHEDHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(C#N)cc2)CC1 ZINC000595055182 1033632141 /nfs/dbraw/zinc/63/21/41/1033632141.db2.gz ACDHFYLYWVSGSL-UWJYYQICSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc(C#N)cc3)CC2)C1 ZINC000595056764 1033634851 /nfs/dbraw/zinc/63/48/51/1033634851.db2.gz WAEPCBSTEXIMDG-LAUBAEHRSA-N 1 3 325.500 3.733 20 30 EHEDHO N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F ZINC000404054583 1128674638 /nfs/dbraw/zinc/67/46/38/1128674638.db2.gz GHZMIFWVUHMIFS-SEJPIABJSA-N 1 3 349.453 3.983 20 30 EHEDHO N#CCC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC001173327680 1132048318 /nfs/dbraw/zinc/04/83/18/1132048318.db2.gz FNZYRHATDNWRGN-HODLZWQNSA-N 1 3 337.511 3.959 20 30 EHEDHO C#CCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794827140 1137267806 /nfs/dbraw/zinc/26/78/06/1137267806.db2.gz ICLDHUZTTMJBHL-TZIWHRDSSA-N 1 3 348.490 3.871 20 30 EHEDHO C#CCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000794827140 1137267807 /nfs/dbraw/zinc/26/78/07/1137267807.db2.gz ICLDHUZTTMJBHL-TZIWHRDSSA-N 1 3 348.490 3.871 20 30 EHEDHO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000883390999 1137859190 /nfs/dbraw/zinc/85/91/90/1137859190.db2.gz ZCYZGTHEDSKGLS-YLJYHZDGSA-N 1 3 346.515 3.659 20 30 EHEDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181696566 1139925092 /nfs/dbraw/zinc/92/50/92/1139925092.db2.gz NGKKDIBZMRZOHD-QGZVFWFLSA-N 1 3 337.467 3.891 20 30 EHEDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181696566 1139925094 /nfs/dbraw/zinc/92/50/94/1139925094.db2.gz NGKKDIBZMRZOHD-QGZVFWFLSA-N 1 3 337.467 3.891 20 30 EHEDHO COc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1C#N ZINC000340173846 1016582600 /nfs/dbraw/zinc/58/26/00/1016582600.db2.gz OQDQURVDPPVZJB-UHFFFAOYSA-N 1 3 341.499 3.655 20 30 EHEDHO C=CCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414816025 1029349776 /nfs/dbraw/zinc/34/97/76/1029349776.db2.gz YXEMZBHLOHAPLI-OAHLLOKOSA-N 1 3 326.440 3.570 20 30 EHEDHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(C#N)cc2)CC1 ZINC000595055179 1033631994 /nfs/dbraw/zinc/63/19/94/1033631994.db2.gz ACDHFYLYWVSGSL-DYESRHJHSA-N 1 3 325.500 3.733 20 30 EHEDHO N#CCc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997741 1036605484 /nfs/dbraw/zinc/60/54/84/1036605484.db2.gz QQECZSSPIGDBPY-GOTSBHOMSA-N 1 3 345.490 3.707 20 30 EHEDHO N#CCc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997741 1036605498 /nfs/dbraw/zinc/60/54/98/1036605498.db2.gz QQECZSSPIGDBPY-GOTSBHOMSA-N 1 3 345.490 3.707 20 30 EHEDHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000057843870 1037202191 /nfs/dbraw/zinc/20/21/91/1037202191.db2.gz SXNANJCMKGINJG-UHFFFAOYSA-N 1 3 333.479 3.902 20 30 EHEDHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000057843870 1037202202 /nfs/dbraw/zinc/20/22/02/1037202202.db2.gz SXNANJCMKGINJG-UHFFFAOYSA-N 1 3 333.479 3.902 20 30 EHEDHO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000186246332 1128357565 /nfs/dbraw/zinc/35/75/65/1128357565.db2.gz ZCVOXSXDYDYUCZ-OAQYLSRUSA-N 1 3 333.479 3.821 20 30 EHEDHO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000186246332 1128357569 /nfs/dbraw/zinc/35/75/69/1128357569.db2.gz ZCVOXSXDYDYUCZ-OAQYLSRUSA-N 1 3 333.479 3.821 20 30 EHEDHO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309763647 1128914552 /nfs/dbraw/zinc/91/45/52/1128914552.db2.gz FKZRAMJGUSZVBB-CRAIPNDOSA-N 1 3 325.481 3.620 20 30 EHEDHO C=CC[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000766022321 1129817718 /nfs/dbraw/zinc/81/77/18/1129817718.db2.gz RDAPCHNKUMIBJA-LAUBAEHRSA-N 1 3 339.483 3.990 20 30 EHEDHO C#Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001144576167 1137311908 /nfs/dbraw/zinc/31/19/08/1137311908.db2.gz DATSUXUPPSXQFU-QHCPKHFHSA-N 1 3 330.475 3.766 20 30 EHEDHO C#Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001144576167 1137311910 /nfs/dbraw/zinc/31/19/10/1137311910.db2.gz DATSUXUPPSXQFU-QHCPKHFHSA-N 1 3 330.475 3.766 20 30 EHEDHO CN1C(C)(C)CC([NH2+]CCCOc2cccc(C#N)c2)CC1(C)C ZINC001171626301 1137501455 /nfs/dbraw/zinc/50/14/55/1137501455.db2.gz XGNVABZLJRBCEA-UHFFFAOYSA-N 1 3 329.488 3.568 20 30 EHEDHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111107 1137537427 /nfs/dbraw/zinc/53/74/27/1137537427.db2.gz RYFOZWIMOILLGM-PHZGNYQRSA-N 1 3 337.389 3.682 20 30 EHEDHO CN(C)C[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054492 1140561681 /nfs/dbraw/zinc/56/16/81/1140561681.db2.gz YXHPLLONPOCYAL-FQEVSTJZSA-N 1 3 347.506 3.770 20 30 EHEDHO CN(C)C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054492 1140561683 /nfs/dbraw/zinc/56/16/83/1140561683.db2.gz YXHPLLONPOCYAL-FQEVSTJZSA-N 1 3 347.506 3.770 20 30 EHEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000459729991 1032434650 /nfs/dbraw/zinc/43/46/50/1032434650.db2.gz LEVFRCDIDZSEFR-XUVXKRRUSA-N 1 3 325.500 3.817 20 30 EHEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000459729991 1032434656 /nfs/dbraw/zinc/43/46/56/1032434656.db2.gz LEVFRCDIDZSEFR-XUVXKRRUSA-N 1 3 325.500 3.817 20 30 EHEDHO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000459729991 1032434663 /nfs/dbraw/zinc/43/46/63/1032434663.db2.gz LEVFRCDIDZSEFR-XUVXKRRUSA-N 1 3 325.500 3.817 20 30 EHEDHO C=CCN1CCC[C@H]1C[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168026938 1024468329 /nfs/dbraw/zinc/46/83/29/1024468329.db2.gz MKQQXYVXOMODIW-IPJJNNNSSA-N 1 3 341.543 3.668 20 30 EHEDHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281634046 1025297839 /nfs/dbraw/zinc/29/78/39/1025297839.db2.gz INAWXUSWFAFKHR-UHFFFAOYSA-N 1 3 337.467 3.698 20 30 EHEDHO C[NH+](C)Cc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000237054182 1028619398 /nfs/dbraw/zinc/61/93/98/1028619398.db2.gz QGYIEBJZFSUCNI-UHFFFAOYSA-N 1 3 337.467 3.721 20 30 EHEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000574005049 1037969415 /nfs/dbraw/zinc/96/94/15/1037969415.db2.gz BFPNMRODGNSMFI-OFNKIYASSA-N 1 3 345.490 3.700 20 30 EHEDHO C#CCCOc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000236684685 1038805308 /nfs/dbraw/zinc/80/53/08/1038805308.db2.gz JKQUYKQVNZYHSI-UHFFFAOYSA-N 1 3 348.490 3.627 20 30 EHEDHO C#CCCOc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000236684685 1038805327 /nfs/dbraw/zinc/80/53/27/1038805327.db2.gz JKQUYKQVNZYHSI-UHFFFAOYSA-N 1 3 348.490 3.627 20 30 EHEDHO C=CCCCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512485394 1039464444 /nfs/dbraw/zinc/46/44/44/1039464444.db2.gz GZYNQOVUPRPBCP-QFIPXVFZSA-N 1 3 341.543 3.625 20 30 EHEDHO C=CCCCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512485394 1039464456 /nfs/dbraw/zinc/46/44/56/1039464456.db2.gz GZYNQOVUPRPBCP-QFIPXVFZSA-N 1 3 341.543 3.625 20 30 EHEDHO C[N@@H+]1CCC[C@H](CNCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000252466306 1128827689 /nfs/dbraw/zinc/82/76/89/1128827689.db2.gz WEJXFFPUGALSEE-MJGOQNOKSA-N 1 3 325.481 3.792 20 30 EHEDHO C[N@H+]1CCC[C@H](CNCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000252466306 1128827693 /nfs/dbraw/zinc/82/76/93/1128827693.db2.gz WEJXFFPUGALSEE-MJGOQNOKSA-N 1 3 325.481 3.792 20 30 EHEDHO C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000618806666 1125207703 /nfs/dbraw/zinc/20/77/03/1125207703.db2.gz RDFUIRWHHKKTFH-OPAMFIHVSA-N 1 3 349.478 3.837 20 30 EHEDHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000701831815 1130175708 /nfs/dbraw/zinc/17/57/08/1130175708.db2.gz SOAAKSIRBHTUBT-WIYYLYMNSA-N 1 3 333.479 3.867 20 30 EHEDHO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245689530 1130287725 /nfs/dbraw/zinc/28/77/25/1130287725.db2.gz KCSOOIAFFVKREO-DKUWSORSSA-N 1 3 331.463 3.843 20 30 EHEDHO C[N@@H+]1CCC[C@@H](CNCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000174460523 1130359771 /nfs/dbraw/zinc/35/97/71/1130359771.db2.gz WEJXFFPUGALSEE-PKOBYXMFSA-N 1 3 325.481 3.792 20 30 EHEDHO C[N@H+]1CCC[C@@H](CNCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000174460523 1130359778 /nfs/dbraw/zinc/35/97/78/1130359778.db2.gz WEJXFFPUGALSEE-PKOBYXMFSA-N 1 3 325.481 3.792 20 30 EHEDHO CC1CC[NH+](CC[C@@H]2CCCN2CCc2ccc(C#N)cc2)CC1 ZINC001175362513 1132650354 /nfs/dbraw/zinc/65/03/54/1132650354.db2.gz WBVNWFMDMBEOPW-NRFANRHFSA-N 1 3 325.500 3.687 20 30 EHEDHO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000883390998 1137859219 /nfs/dbraw/zinc/85/92/19/1137859219.db2.gz ZCYZGTHEDSKGLS-XLIONFOSSA-N 1 3 346.515 3.659 20 30 EHEDHO C=CCC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192789243 1140550462 /nfs/dbraw/zinc/55/04/62/1140550462.db2.gz BOHVYRLCGXDBRH-OAQYLSRUSA-N 1 3 329.532 3.700 20 30 EHEDHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000595065273 1033641375 /nfs/dbraw/zinc/64/13/75/1033641375.db2.gz CEUGLOKYTUHHQF-QFIPXVFZSA-N 1 3 348.494 3.906 20 30 EHEDHO CN1CCCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000599069185 1033709612 /nfs/dbraw/zinc/70/96/12/1033709612.db2.gz CTCCCPGVGWZRKA-PELRDEGISA-N 1 3 325.500 3.712 20 30 EHEDHO C#C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000491737315 1037646263 /nfs/dbraw/zinc/64/62/63/1037646263.db2.gz BMYUDUBJIAOFEG-IBGZPJMESA-N 1 3 325.843 3.668 20 30 EHEDHO C=C(C)CN1CCC([NH2+]CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000177557892 1126983952 /nfs/dbraw/zinc/98/39/52/1126983952.db2.gz UUOAVLYTNFMGSZ-UHFFFAOYSA-N 1 3 343.559 3.775 20 30 EHEDHO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000403981002 1128673031 /nfs/dbraw/zinc/67/30/31/1128673031.db2.gz ATZPCTAHLPPODR-OXJNMPFZSA-N 1 3 337.442 3.698 20 30 EHEDHO C=CCOC1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001173319860 1132060804 /nfs/dbraw/zinc/06/08/04/1132060804.db2.gz YVSBNRJYHKDPOL-JSOIOWGOSA-N 1 3 332.532 3.911 20 30 EHEDHO C#Cc1ccc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001177982008 1133126136 /nfs/dbraw/zinc/12/61/36/1133126136.db2.gz ZJBMJWHJFIXZEP-MOJGAOKDSA-N 1 3 332.491 3.914 20 30 EHEDHO C#Cc1ccc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001177982008 1133126139 /nfs/dbraw/zinc/12/61/39/1133126139.db2.gz ZJBMJWHJFIXZEP-MOJGAOKDSA-N 1 3 332.491 3.914 20 30 EHEDHO CCN(CC)c1ccc(/C=[NH+]\CC2CC[NH+](C3CC3)CC2)c([O-])c1 ZINC000772156073 1133652692 /nfs/dbraw/zinc/65/26/92/1133652692.db2.gz UYFDMWATJPPHPL-QNGOZBTKSA-N 1 3 329.488 3.532 20 30 EHEDHO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)C1 ZINC001199336428 1135895945 /nfs/dbraw/zinc/89/59/45/1135895945.db2.gz OIZNTKLVXCCDMK-SIKLNZKXSA-N 1 3 341.543 3.659 20 30 EHEDHO C#CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794827137 1137267831 /nfs/dbraw/zinc/26/78/31/1137267831.db2.gz ICLDHUZTTMJBHL-CTNGQTDRSA-N 1 3 348.490 3.871 20 30 EHEDHO C#CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000794827137 1137267833 /nfs/dbraw/zinc/26/78/33/1137267833.db2.gz ICLDHUZTTMJBHL-CTNGQTDRSA-N 1 3 348.490 3.871 20 30 EHEDHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 ZINC000866617121 1137369794 /nfs/dbraw/zinc/36/97/94/1137369794.db2.gz FMGFDRYTPZXWLC-NPFVIJTESA-N 1 3 337.511 3.658 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268917402 1141024788 /nfs/dbraw/zinc/02/47/88/1141024788.db2.gz VMWZFXFQKGFNBT-UGKGYDQZSA-N 1 3 341.543 3.670 20 30 EHEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399015603 1024781193 /nfs/dbraw/zinc/78/11/93/1024781193.db2.gz BWRJDQYEPQLRAT-GCJKJVERSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399015603 1024781202 /nfs/dbraw/zinc/78/12/02/1024781202.db2.gz BWRJDQYEPQLRAT-GCJKJVERSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@@H]1CN(CCC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000093844478 1030682731 /nfs/dbraw/zinc/68/27/31/1030682731.db2.gz LILNCBAZDWTSHM-HDICACEKSA-N 1 3 335.536 3.528 20 30 EHEDHO Cc1cc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1C#N ZINC000443978749 1036156778 /nfs/dbraw/zinc/15/67/78/1036156778.db2.gz LQJDVLYVTODQIX-GOSISDBHSA-N 1 3 339.508 3.930 20 30 EHEDHO Cc1cc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1C#N ZINC000443978749 1036156787 /nfs/dbraw/zinc/15/67/87/1036156787.db2.gz LQJDVLYVTODQIX-GOSISDBHSA-N 1 3 339.508 3.930 20 30 EHEDHO N#CCc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000592371103 1037919201 /nfs/dbraw/zinc/91/92/01/1037919201.db2.gz KBDWGCRABXNPQQ-UHFFFAOYSA-N 1 3 349.478 3.517 20 30 EHEDHO Cc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488425949 1039162572 /nfs/dbraw/zinc/16/25/72/1039162572.db2.gz HAHUFEMGDDLQHJ-OAQYLSRUSA-N 1 3 333.479 3.821 20 30 EHEDHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488425949 1039162579 /nfs/dbraw/zinc/16/25/79/1039162579.db2.gz HAHUFEMGDDLQHJ-OAQYLSRUSA-N 1 3 333.479 3.821 20 30 EHEDHO C=CCCC[C@@H](C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512449703 1039184921 /nfs/dbraw/zinc/18/49/21/1039184921.db2.gz KHIHWRUJISRVCJ-IFMALSPDSA-N 1 3 341.543 3.623 20 30 EHEDHO C=CCCC[C@@H](C)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449703 1039184930 /nfs/dbraw/zinc/18/49/30/1039184930.db2.gz KHIHWRUJISRVCJ-IFMALSPDSA-N 1 3 341.543 3.623 20 30 EHEDHO N#Cc1ccc(OCCN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889777 1128717828 /nfs/dbraw/zinc/71/78/28/1128717828.db2.gz NBLSJAIBHFMPBV-UHFFFAOYSA-N 1 3 341.499 3.525 20 30 EHEDHO C#Cc1ccc(CNCc2ccc(OCC[NH+](CC)CC)cc2)cc1 ZINC000809605725 1135856190 /nfs/dbraw/zinc/85/61/90/1135856190.db2.gz GYFWJGWHQRKYSK-UHFFFAOYSA-N 1 3 336.479 3.678 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001171221116 1137346930 /nfs/dbraw/zinc/34/69/30/1137346930.db2.gz IJCOSICWOWWARK-GHTZIAJQSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001171221116 1137346931 /nfs/dbraw/zinc/34/69/31/1137346931.db2.gz IJCOSICWOWWARK-GHTZIAJQSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172299667 1137549011 /nfs/dbraw/zinc/54/90/11/1137549011.db2.gz MPAVIKFLIIOGCP-SFHVURJKSA-N 1 3 333.479 3.525 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172300226 1137549243 /nfs/dbraw/zinc/54/92/43/1137549243.db2.gz SFIMQWWZZSQBDM-QGZVFWFLSA-N 1 3 325.500 3.733 20 30 EHEDHO N#CC1(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CCCC1 ZINC000593653599 1032998334 /nfs/dbraw/zinc/99/83/34/1032998334.db2.gz RJKVTXZKYCNTJM-UHFFFAOYSA-N 1 3 329.463 3.506 20 30 EHEDHO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000421865919 1028861367 /nfs/dbraw/zinc/86/13/67/1028861367.db2.gz ARXZQBZGOCSOGP-NNZMDNLPSA-N 1 3 337.492 3.905 20 30 EHEDHO N#CC1(c2ccc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000597031152 1034505326 /nfs/dbraw/zinc/50/53/26/1034505326.db2.gz VQHPRYUGBGNDQY-NQIIRXRSSA-N 1 3 335.495 3.690 20 30 EHEDHO N#CC1(c2ccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000597031152 1034505340 /nfs/dbraw/zinc/50/53/40/1034505340.db2.gz VQHPRYUGBGNDQY-NQIIRXRSSA-N 1 3 335.495 3.690 20 30 EHEDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964677 1035536919 /nfs/dbraw/zinc/53/69/19/1035536919.db2.gz SJMBCSNADLFKIX-OAHLLOKOSA-N 1 3 325.431 4.000 20 30 EHEDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964677 1035536935 /nfs/dbraw/zinc/53/69/35/1035536935.db2.gz SJMBCSNADLFKIX-OAHLLOKOSA-N 1 3 325.431 4.000 20 30 EHEDHO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311062417 1036949573 /nfs/dbraw/zinc/94/95/73/1036949573.db2.gz XKDOXGQBKCXXDZ-FQEVSTJZSA-N 1 3 336.479 3.863 20 30 EHEDHO CC[NH+](CC)CCCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000542017913 1036966309 /nfs/dbraw/zinc/96/63/09/1036966309.db2.gz YGTDTUPTZYJWDC-UHFFFAOYSA-N 1 3 343.515 3.901 20 30 EHEDHO N=C(Nc1ccc(C2([NH3+])CCC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184989 1137293109 /nfs/dbraw/zinc/29/31/09/1137293109.db2.gz RAXAIPCTTKUOOX-UHFFFAOYSA-N 1 3 331.419 3.920 20 30 EHEDHO N#Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000886635123 1138104088 /nfs/dbraw/zinc/10/40/88/1138104088.db2.gz WDORZVWXRAFCFR-ZRBLBEILSA-N 1 3 345.490 3.743 20 30 EHEDHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174431688 1139420205 /nfs/dbraw/zinc/42/02/05/1139420205.db2.gz NBGXEWIFPPCFBI-QGZVFWFLSA-N 1 3 337.467 3.740 20 30 EHEDHO Cn1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cc1C#N ZINC000190906431 1140424246 /nfs/dbraw/zinc/42/42/46/1140424246.db2.gz FJWSRNLTOKLXBX-UHFFFAOYSA-N 1 3 336.483 3.563 20 30 EHEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000459729981 1032435262 /nfs/dbraw/zinc/43/52/62/1032435262.db2.gz LEVFRCDIDZSEFR-SLFFLAALSA-N 1 3 325.500 3.817 20 30 EHEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000459729981 1032435267 /nfs/dbraw/zinc/43/52/67/1032435267.db2.gz LEVFRCDIDZSEFR-SLFFLAALSA-N 1 3 325.500 3.817 20 30 EHEDHO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000459729981 1032435272 /nfs/dbraw/zinc/43/52/72/1032435272.db2.gz LEVFRCDIDZSEFR-SLFFLAALSA-N 1 3 325.500 3.817 20 30 EHEDHO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000610829924 1023779481 /nfs/dbraw/zinc/77/94/81/1023779481.db2.gz SANASUFYPGJVOG-IRXDYDNUSA-N 1 3 337.467 3.910 20 30 EHEDHO C=CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168026942 1024468279 /nfs/dbraw/zinc/46/82/79/1024468279.db2.gz MKQQXYVXOMODIW-MXNKGDRCSA-N 1 3 341.543 3.668 20 30 EHEDHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc(C#N)cc3)CC2)C1 ZINC000595056766 1033634972 /nfs/dbraw/zinc/63/49/72/1033634972.db2.gz WAEPCBSTEXIMDG-UWJYYQICSA-N 1 3 325.500 3.733 20 30 EHEDHO Cc1noc(C)c1CN1CCCC12CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172495596 1131758574 /nfs/dbraw/zinc/75/85/74/1131758574.db2.gz GLHUYIDTUKHWTL-INIZCTEOSA-N 1 3 344.503 3.804 20 30 EHEDHO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)C1 ZINC001199336429 1135895651 /nfs/dbraw/zinc/89/56/51/1135895651.db2.gz OIZNTKLVXCCDMK-UGKGYDQZSA-N 1 3 341.543 3.659 20 30 EHEDHO C[NH+]1CCC2(CCN(Cc3cc(Cl)ccc3OCC#N)CC2)CC1 ZINC000879247401 1137742496 /nfs/dbraw/zinc/74/24/96/1137742496.db2.gz BYVJVSWVYXLMNG-UHFFFAOYSA-N 1 3 347.890 3.550 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268917397 1141025045 /nfs/dbraw/zinc/02/50/45/1141025045.db2.gz VMWZFXFQKGFNBT-KNQAVFIVSA-N 1 3 341.543 3.670 20 30 EHEDHO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000154325221 1015367506 /nfs/dbraw/zinc/36/75/06/1015367506.db2.gz XCSPMEOKGHEQHM-IRXDYDNUSA-N 1 3 337.467 3.910 20 30 EHEDHO C[C@@H](C#N)Oc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000237487059 1033093872 /nfs/dbraw/zinc/09/38/72/1033093872.db2.gz UBIQPGSINNDTCA-SFHVURJKSA-N 1 3 349.478 3.515 20 30 EHEDHO C[C@@H](C#N)Oc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000237487059 1033093885 /nfs/dbraw/zinc/09/38/85/1033093885.db2.gz UBIQPGSINNDTCA-SFHVURJKSA-N 1 3 349.478 3.515 20 30 EHEDHO C#CCCC1(CCNC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)N=N1 ZINC001168040689 1025335993 /nfs/dbraw/zinc/33/59/93/1025335993.db2.gz ODRQEMNJCYMIOP-ROUUACIJSA-N 1 3 338.499 3.983 20 30 EHEDHO CCCN(Cc1ccnn1-c1ccncc1)Cc1ccc(C#N)cc1 ZINC000596984088 1034481495 /nfs/dbraw/zinc/48/14/95/1034481495.db2.gz PQQYHDQQYUVBPP-UHFFFAOYSA-N 1 3 331.423 3.551 20 30 EHEDHO CCC[N@H+](Cc1ccnn1-c1ccncc1)Cc1ccc(C#N)cc1 ZINC000596984088 1034481510 /nfs/dbraw/zinc/48/15/10/1034481510.db2.gz PQQYHDQQYUVBPP-UHFFFAOYSA-N 1 3 331.423 3.551 20 30 EHEDHO CCC[N@@H+](Cc1ccnn1-c1ccncc1)Cc1ccc(C#N)cc1 ZINC000596984088 1034481518 /nfs/dbraw/zinc/48/15/18/1034481518.db2.gz PQQYHDQQYUVBPP-UHFFFAOYSA-N 1 3 331.423 3.551 20 30 EHEDHO C=CCOc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000535083205 1035975539 /nfs/dbraw/zinc/97/55/39/1035975539.db2.gz MWYUWZSCBHPKSI-UHFFFAOYSA-N 1 3 346.515 3.812 20 30 EHEDHO C=CCOc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000535083205 1035975551 /nfs/dbraw/zinc/97/55/51/1035975551.db2.gz MWYUWZSCBHPKSI-UHFFFAOYSA-N 1 3 346.515 3.812 20 30 EHEDHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000594722865 1036174545 /nfs/dbraw/zinc/17/45/45/1036174545.db2.gz UPKKQTJJSBCIPA-KRWDZBQOSA-N 1 3 334.467 3.516 20 30 EHEDHO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000589350828 1036370762 /nfs/dbraw/zinc/37/07/62/1036370762.db2.gz HOIYFGUYJHHAAV-NJYVYQBISA-N 1 3 325.500 3.961 20 30 EHEDHO C#CCOc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000236693696 1039588154 /nfs/dbraw/zinc/58/81/54/1039588154.db2.gz QHKGHKOFJKCZJP-UHFFFAOYSA-N 1 3 348.490 3.974 20 30 EHEDHO C[C@@H]1C[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000766107934 1130323099 /nfs/dbraw/zinc/32/30/99/1130323099.db2.gz JIIHEMSKMQZZJU-RHSMWYFYSA-N 1 3 325.481 3.859 20 30 EHEDHO C[C@@H]1C[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000766107934 1130323104 /nfs/dbraw/zinc/32/31/04/1130323104.db2.gz JIIHEMSKMQZZJU-RHSMWYFYSA-N 1 3 325.481 3.859 20 30 EHEDHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000174460315 1130359242 /nfs/dbraw/zinc/35/92/42/1130359242.db2.gz VHIMSXOBLMBCPN-PKOBYXMFSA-N 1 3 325.481 3.792 20 30 EHEDHO C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000174460315 1130359248 /nfs/dbraw/zinc/35/92/48/1130359248.db2.gz VHIMSXOBLMBCPN-PKOBYXMFSA-N 1 3 325.481 3.792 20 30 EHEDHO N#CCC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001173327681 1132048451 /nfs/dbraw/zinc/04/84/51/1132048451.db2.gz FNZYRHATDNWRGN-JNXFOVNBSA-N 1 3 337.511 3.959 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172307927 1137545614 /nfs/dbraw/zinc/54/56/14/1137545614.db2.gz RCIQOSQASBKHFL-NQIIRXRSSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172307927 1137545616 /nfs/dbraw/zinc/54/56/16/1137545616.db2.gz RCIQOSQASBKHFL-NQIIRXRSSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172307927 1137545618 /nfs/dbraw/zinc/54/56/18/1137545618.db2.gz RCIQOSQASBKHFL-NQIIRXRSSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000276974356 1023510704 /nfs/dbraw/zinc/51/07/04/1023510704.db2.gz QNCTVXGQDAQIJL-QGZVFWFLSA-N 1 3 336.483 3.561 20 30 EHEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000276974356 1023510712 /nfs/dbraw/zinc/51/07/12/1023510712.db2.gz QNCTVXGQDAQIJL-QGZVFWFLSA-N 1 3 336.483 3.561 20 30 EHEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399015607 1024779638 /nfs/dbraw/zinc/77/96/38/1024779638.db2.gz BWRJDQYEPQLRAT-XMSQKQJNSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399015607 1024779649 /nfs/dbraw/zinc/77/96/49/1024779649.db2.gz BWRJDQYEPQLRAT-XMSQKQJNSA-N 1 3 333.479 3.753 20 30 EHEDHO COc1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC000281606090 1025291202 /nfs/dbraw/zinc/29/12/02/1025291202.db2.gz GEZOBPKSHUXYEU-UHFFFAOYSA-N 1 3 349.478 3.843 20 30 EHEDHO CC[NH+](CC)CCCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442845296 1025517230 /nfs/dbraw/zinc/51/72/30/1025517230.db2.gz XMGFAPORWDBZEA-UHFFFAOYSA-N 1 3 343.515 3.901 20 30 EHEDHO C[C@H]1CN(CCC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000093844479 1030683650 /nfs/dbraw/zinc/68/36/50/1030683650.db2.gz LILNCBAZDWTSHM-ROUUACIJSA-N 1 3 335.536 3.528 20 30 EHEDHO CCN(Cc1ccnn1-c1ccncc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596983858 1034481964 /nfs/dbraw/zinc/48/19/64/1034481964.db2.gz HRTUMKDIRUGVLG-INIZCTEOSA-N 1 3 331.423 3.722 20 30 EHEDHO CC[N@H+](Cc1ccnn1-c1ccncc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596983858 1034481974 /nfs/dbraw/zinc/48/19/74/1034481974.db2.gz HRTUMKDIRUGVLG-INIZCTEOSA-N 1 3 331.423 3.722 20 30 EHEDHO CC[N@@H+](Cc1ccnn1-c1ccncc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596983858 1034481979 /nfs/dbraw/zinc/48/19/79/1034481979.db2.gz HRTUMKDIRUGVLG-INIZCTEOSA-N 1 3 331.423 3.722 20 30 EHEDHO CCCCN1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236760209 1042409483 /nfs/dbraw/zinc/40/94/83/1042409483.db2.gz FVTRKGIEECGPCO-UHFFFAOYSA-N 1 3 329.488 3.723 20 30 EHEDHO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186246316 1128357299 /nfs/dbraw/zinc/35/72/99/1128357299.db2.gz ZCVOXSXDYDYUCZ-NRFANRHFSA-N 1 3 333.479 3.821 20 30 EHEDHO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186246316 1128357303 /nfs/dbraw/zinc/35/73/03/1128357303.db2.gz ZCVOXSXDYDYUCZ-NRFANRHFSA-N 1 3 333.479 3.821 20 30 EHEDHO C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000618806662 1125207812 /nfs/dbraw/zinc/20/78/12/1125207812.db2.gz RDFUIRWHHKKTFH-KSFYIVLOSA-N 1 3 349.478 3.837 20 30 EHEDHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(OC)c(C#N)c1 ZINC000124930423 1129645702 /nfs/dbraw/zinc/64/57/02/1129645702.db2.gz IGTMAYMVFWWXGU-UHFFFAOYSA-N 1 3 337.467 3.698 20 30 EHEDHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000701831812 1130175488 /nfs/dbraw/zinc/17/54/88/1130175488.db2.gz SOAAKSIRBHTUBT-GHTZIAJQSA-N 1 3 333.479 3.867 20 30 EHEDHO C[C@H]1C[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000766107936 1130323053 /nfs/dbraw/zinc/32/30/53/1130323053.db2.gz JIIHEMSKMQZZJU-YOEHRIQHSA-N 1 3 325.481 3.859 20 30 EHEDHO C[C@H]1C[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000766107936 1130323061 /nfs/dbraw/zinc/32/30/61/1130323061.db2.gz JIIHEMSKMQZZJU-YOEHRIQHSA-N 1 3 325.481 3.859 20 30 EHEDHO C[N@@H+]1CCC[C@H](CNCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000174460511 1130359087 /nfs/dbraw/zinc/35/90/87/1130359087.db2.gz WEJXFFPUGALSEE-IEBWSBKVSA-N 1 3 325.481 3.792 20 30 EHEDHO C[N@H+]1CCC[C@H](CNCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000174460511 1130359092 /nfs/dbraw/zinc/35/90/92/1130359092.db2.gz WEJXFFPUGALSEE-IEBWSBKVSA-N 1 3 325.481 3.792 20 30 EHEDHO C=CCOC1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001173319861 1132060690 /nfs/dbraw/zinc/06/06/90/1132060690.db2.gz YVSBNRJYHKDPOL-LWEYNCJUSA-N 1 3 332.532 3.911 20 30 EHEDHO N#Cc1ccc(CN2CCCN(c3cc[nH+]cc3C3CC3)CC2)cc1 ZINC000872398475 1137579279 /nfs/dbraw/zinc/57/92/79/1137579279.db2.gz SADLOHBPXKKGMG-UHFFFAOYSA-N 1 3 332.451 3.543 20 30 EHEDHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681912 1139924333 /nfs/dbraw/zinc/92/43/33/1139924333.db2.gz JMMOFUKJOLXCPA-NQIIRXRSSA-N 1 3 333.479 3.773 20 30 EHEDHO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CN1CCCC1 ZINC000271069856 1141303911 /nfs/dbraw/zinc/30/39/11/1141303911.db2.gz LAIXEVLQXQJPGN-KMFTYDHNSA-N 1 3 325.500 3.712 20 30 EHEDHO N#CC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000602608279 1033024787 /nfs/dbraw/zinc/02/47/87/1033024787.db2.gz LSOOBGWAHOCVQD-JNXFOVNBSA-N 1 3 337.511 3.959 20 30 EHEDHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093006871 1026724398 /nfs/dbraw/zinc/72/43/98/1026724398.db2.gz LKWSQZCSWYGLRM-UHFFFAOYSA-N 1 3 339.508 3.964 20 30 EHEDHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093006871 1026724406 /nfs/dbraw/zinc/72/44/06/1026724406.db2.gz LKWSQZCSWYGLRM-UHFFFAOYSA-N 1 3 339.508 3.964 20 30 EHEDHO N#Cc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000385967260 1034586674 /nfs/dbraw/zinc/58/66/74/1034586674.db2.gz PNBYZTLMRSMCAP-FGZHOGPDSA-N 1 3 331.463 3.512 20 30 EHEDHO N#Cc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000385967260 1034586682 /nfs/dbraw/zinc/58/66/82/1034586682.db2.gz PNBYZTLMRSMCAP-FGZHOGPDSA-N 1 3 331.463 3.512 20 30 EHEDHO C[C@@H]1CN(CC2CC[NH+](CCC3(C#N)CCCCC3)CC2)C[C@H](C)O1 ZINC000411220168 1040598350 /nfs/dbraw/zinc/59/83/50/1040598350.db2.gz RGVAJADURSENQT-KDURUIRLSA-N 1 3 347.547 3.672 20 30 EHEDHO N#CC1CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000282125573 1121846883 /nfs/dbraw/zinc/84/68/83/1121846883.db2.gz BBTSAWYMTNMOFU-GBJCSSAMSA-N 1 3 337.511 3.817 20 30 EHEDHO C[N@H+](Cc1ccccc1)CC(C)(C)C=Nn1cnnc1-c1ccccc1 ZINC000747630701 1136007296 /nfs/dbraw/zinc/00/72/96/1136007296.db2.gz YIIOOLNADIOMLX-UHFFFAOYSA-N 1 3 347.466 3.937 20 30 EHEDHO C[N@@H+](Cc1ccccc1)CC(C)(C)C=Nn1cnnc1-c1ccccc1 ZINC000747630701 1136007299 /nfs/dbraw/zinc/00/72/99/1136007299.db2.gz YIIOOLNADIOMLX-UHFFFAOYSA-N 1 3 347.466 3.937 20 30 EHEDHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617378 1137369966 /nfs/dbraw/zinc/36/99/66/1137369966.db2.gz IBSQGRZYWDYZLN-XGRCMKMKSA-N 1 3 337.511 3.658 20 30 EHEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000152986826 1139117301 /nfs/dbraw/zinc/11/73/01/1139117301.db2.gz XZZHYLJZPVXESV-INIZCTEOSA-N 1 3 330.472 3.539 20 30 EHEDHO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185697130 1140164130 /nfs/dbraw/zinc/16/41/30/1140164130.db2.gz RXNQFNIAODAGLW-IEBWSBKVSA-N 1 3 341.499 3.570 20 30 EHEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000276974353 1023511104 /nfs/dbraw/zinc/51/11/04/1023511104.db2.gz QNCTVXGQDAQIJL-KRWDZBQOSA-N 1 3 336.483 3.561 20 30 EHEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000276974353 1023511112 /nfs/dbraw/zinc/51/11/12/1023511112.db2.gz QNCTVXGQDAQIJL-KRWDZBQOSA-N 1 3 336.483 3.561 20 30 EHEDHO C#CCCC1(CCNC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)N=N1 ZINC001168040688 1025336705 /nfs/dbraw/zinc/33/67/05/1025336705.db2.gz ODRQEMNJCYMIOP-QZTJIDSGSA-N 1 3 338.499 3.983 20 30 EHEDHO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F ZINC000453371452 1030187844 /nfs/dbraw/zinc/18/78/44/1030187844.db2.gz GHZMIFWVUHMIFS-MZADTFQBSA-N 1 3 349.453 3.983 20 30 EHEDHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131847 1032045564 /nfs/dbraw/zinc/04/55/64/1032045564.db2.gz KUPMIQJIWXWPGZ-AZUAARDMSA-N 1 3 349.478 3.762 20 30 EHEDHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131847 1032045580 /nfs/dbraw/zinc/04/55/80/1032045580.db2.gz KUPMIQJIWXWPGZ-AZUAARDMSA-N 1 3 349.478 3.762 20 30 EHEDHO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000385967255 1034586899 /nfs/dbraw/zinc/58/68/99/1034586899.db2.gz PNBYZTLMRSMCAP-FCHUYYIVSA-N 1 3 331.463 3.512 20 30 EHEDHO N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000385967255 1034586904 /nfs/dbraw/zinc/58/69/04/1034586904.db2.gz PNBYZTLMRSMCAP-FCHUYYIVSA-N 1 3 331.463 3.512 20 30 EHEDHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000171130606 1037478135 /nfs/dbraw/zinc/47/81/35/1037478135.db2.gz FFOKGUIXELJPCY-QGZVFWFLSA-N 1 3 337.467 3.740 20 30 EHEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000574005043 1037969943 /nfs/dbraw/zinc/96/99/43/1037969943.db2.gz BFPNMRODGNSMFI-NFBKMPQASA-N 1 3 345.490 3.700 20 30 EHEDHO N#CC1CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000282125594 1121847495 /nfs/dbraw/zinc/84/74/95/1121847495.db2.gz BBTSAWYMTNMOFU-NEBGQFLZSA-N 1 3 337.511 3.817 20 30 EHEDHO C=CC[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000766022319 1129818115 /nfs/dbraw/zinc/81/81/15/1129818115.db2.gz RDAPCHNKUMIBJA-DYESRHJHSA-N 1 3 339.483 3.990 20 30 EHEDHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276073 1130368426 /nfs/dbraw/zinc/36/84/26/1130368426.db2.gz VHIMSXOBLMBCPN-HKUYNNGSSA-N 1 3 325.481 3.792 20 30 EHEDHO C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276073 1130368432 /nfs/dbraw/zinc/36/84/32/1130368432.db2.gz VHIMSXOBLMBCPN-HKUYNNGSSA-N 1 3 325.481 3.792 20 30 EHEDHO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775419984 1134764703 /nfs/dbraw/zinc/76/47/03/1134764703.db2.gz FCFVOBUVNDAGTD-ZWKOTPCHSA-N 1 3 346.515 3.516 20 30 EHEDHO CCCN1C[C@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398370 1134765399 /nfs/dbraw/zinc/76/53/99/1134765399.db2.gz PDHNWEVDIJVQIZ-CDNGDFIJSA-N 1 3 337.511 3.664 20 30 EHEDHO C=CCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1Cc2ccccc2O1 ZINC000883173394 1137847272 /nfs/dbraw/zinc/84/72/72/1137847272.db2.gz KAWSVIJDJJCCJZ-JKBKZWBZSA-N 1 3 326.484 3.541 20 30 EHEDHO C=CCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1Cc2ccccc2O1 ZINC000883173394 1137847273 /nfs/dbraw/zinc/84/72/73/1137847273.db2.gz KAWSVIJDJJCCJZ-JKBKZWBZSA-N 1 3 326.484 3.541 20 30 EHEDHO C=CCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1Cc2ccccc2O1 ZINC000883173395 1137847277 /nfs/dbraw/zinc/84/72/77/1137847277.db2.gz KAWSVIJDJJCCJZ-WERVVEIQSA-N 1 3 326.484 3.541 20 30 EHEDHO C=CCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1Cc2ccccc2O1 ZINC000883173395 1137847278 /nfs/dbraw/zinc/84/72/78/1137847278.db2.gz KAWSVIJDJJCCJZ-WERVVEIQSA-N 1 3 326.484 3.541 20 30 EHEDHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185782042 1140169430 /nfs/dbraw/zinc/16/94/30/1140169430.db2.gz NATIYHZXXUGQLA-HKUYNNGSSA-N 1 3 329.488 3.579 20 30 EHEDHO C=CCOc1ccc(CN2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000506866828 1022956589 /nfs/dbraw/zinc/95/65/89/1022956589.db2.gz JVKSTNNQXHKFNJ-UHFFFAOYSA-N 1 3 346.515 3.814 20 30 EHEDHO C[C@@H]1CN(CCC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000093844480 1030684072 /nfs/dbraw/zinc/68/40/72/1030684072.db2.gz LILNCBAZDWTSHM-QZTJIDSGSA-N 1 3 335.536 3.528 20 30 EHEDHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131856 1032045885 /nfs/dbraw/zinc/04/58/85/1032045885.db2.gz KUPMIQJIWXWPGZ-UYAOXDASSA-N 1 3 349.478 3.762 20 30 EHEDHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131856 1032045901 /nfs/dbraw/zinc/04/59/01/1032045901.db2.gz KUPMIQJIWXWPGZ-UYAOXDASSA-N 1 3 349.478 3.762 20 30 EHEDHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000599304102 1033855148 /nfs/dbraw/zinc/85/51/48/1033855148.db2.gz WIRMPVFUFXDIGL-OAQYLSRUSA-N 1 3 333.479 3.821 20 30 EHEDHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000599304102 1033855161 /nfs/dbraw/zinc/85/51/61/1033855161.db2.gz WIRMPVFUFXDIGL-OAQYLSRUSA-N 1 3 333.479 3.821 20 30 EHEDHO C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)Cc1ccccc1 ZINC000404101786 1128676895 /nfs/dbraw/zinc/67/68/95/1128676895.db2.gz ZSHGYRXKZCYYBF-INIZCTEOSA-N 1 3 325.431 3.698 20 30 EHEDHO C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000272185780 1120545235 /nfs/dbraw/zinc/54/52/35/1120545235.db2.gz GOMVSAYGXFKTIO-QGZVFWFLSA-N 1 3 349.478 3.839 20 30 EHEDHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 ZINC000866617122 1137369851 /nfs/dbraw/zinc/36/98/51/1137369851.db2.gz FMGFDRYTPZXWLC-URZJWIJPSA-N 1 3 337.511 3.658 20 30 EHEDHO C=CCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1Cc2ccccc2O1 ZINC000883173396 1137847229 /nfs/dbraw/zinc/84/72/29/1137847229.db2.gz KAWSVIJDJJCCJZ-XODKDNOYSA-N 1 3 326.484 3.541 20 30 EHEDHO C=CCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1Cc2ccccc2O1 ZINC000883173396 1137847230 /nfs/dbraw/zinc/84/72/30/1137847230.db2.gz KAWSVIJDJJCCJZ-XODKDNOYSA-N 1 3 326.484 3.541 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000268843427 1141006058 /nfs/dbraw/zinc/00/60/58/1141006058.db2.gz DEWPLMPRSKJUOV-DENIHFKCSA-N 1 3 341.543 3.527 20 30 EHEDHO CN(C)CC1(C[NH2+]Cc2cccc(OCCCC#N)c2)CCCC1 ZINC000185292095 1032377426 /nfs/dbraw/zinc/37/74/26/1032377426.db2.gz MIJIVUAGQIZWTG-UHFFFAOYSA-N 1 3 329.488 3.581 20 30 EHEDHO CC[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592402388 1032797192 /nfs/dbraw/zinc/79/71/92/1032797192.db2.gz GLMULYKWINZARL-FSSWDIPSSA-N 1 3 333.479 3.944 20 30 EHEDHO CC[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592402388 1032797196 /nfs/dbraw/zinc/79/71/96/1032797196.db2.gz GLMULYKWINZARL-FSSWDIPSSA-N 1 3 333.479 3.944 20 30 EHEDHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442822771 1025498789 /nfs/dbraw/zinc/49/87/89/1025498789.db2.gz PSDXGRZRZIXYAN-UHFFFAOYSA-N 1 3 329.488 3.511 20 30 EHEDHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442822771 1025498794 /nfs/dbraw/zinc/49/87/94/1025498794.db2.gz PSDXGRZRZIXYAN-UHFFFAOYSA-N 1 3 329.488 3.511 20 30 EHEDHO C[C@H]1CN(CC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000375943683 1034980106 /nfs/dbraw/zinc/98/01/06/1034980106.db2.gz WMQBDTPQMDCNOI-ROUUACIJSA-N 1 3 335.536 3.528 20 30 EHEDHO Cc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1C#N ZINC000443999387 1036271985 /nfs/dbraw/zinc/27/19/85/1036271985.db2.gz SUFNCEHGUPGJRY-UHFFFAOYSA-N 1 3 349.478 3.631 20 30 EHEDHO C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591839144 1037646860 /nfs/dbraw/zinc/64/68/60/1037646860.db2.gz YHLVCKBTBGRTFA-QGZVFWFLSA-N 1 3 337.467 3.692 20 30 EHEDHO C=CCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925631940 1040343502 /nfs/dbraw/zinc/34/35/02/1040343502.db2.gz LOSQYTGIRWVCIA-SEJPIABJSA-N 1 3 328.500 3.754 20 30 EHEDHO C=CCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925631940 1040343514 /nfs/dbraw/zinc/34/35/14/1040343514.db2.gz LOSQYTGIRWVCIA-SEJPIABJSA-N 1 3 328.500 3.754 20 30 EHEDHO CC(C)(C#N)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000614176172 1040379252 /nfs/dbraw/zinc/37/92/52/1040379252.db2.gz OKJDVJQWNUGGSD-RXVVDRJESA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(C#N)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000614176172 1040379268 /nfs/dbraw/zinc/37/92/68/1040379268.db2.gz OKJDVJQWNUGGSD-RXVVDRJESA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000367905186 1127412384 /nfs/dbraw/zinc/41/23/84/1127412384.db2.gz VYSZDTSTATUNBH-VAMGGRTRSA-N 1 3 325.500 3.817 20 30 EHEDHO Cc1cc(CN2CCC(C[NH+]3CCCCCC3)CC2)ccc1C#N ZINC000618592807 1125116297 /nfs/dbraw/zinc/11/62/97/1125116297.db2.gz JOFXSWGCMBNQHV-UHFFFAOYSA-N 1 3 325.500 3.955 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001171204311 1137324554 /nfs/dbraw/zinc/32/45/54/1137324554.db2.gz VMTNSJHESMCSIF-OALUTQOASA-N 1 3 337.511 3.900 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001171204311 1137324556 /nfs/dbraw/zinc/32/45/56/1137324556.db2.gz VMTNSJHESMCSIF-OALUTQOASA-N 1 3 337.511 3.900 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001171221119 1137346803 /nfs/dbraw/zinc/34/68/03/1137346803.db2.gz IJCOSICWOWWARK-RXVVDRJESA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001171221119 1137346805 /nfs/dbraw/zinc/34/68/05/1137346805.db2.gz IJCOSICWOWWARK-RXVVDRJESA-N 1 3 325.500 3.830 20 30 EHEDHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111105 1137537691 /nfs/dbraw/zinc/53/76/91/1137537691.db2.gz RYFOZWIMOILLGM-MUJYYYPQSA-N 1 3 337.389 3.682 20 30 EHEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886605095 1138101027 /nfs/dbraw/zinc/10/10/27/1138101027.db2.gz JKWNIWDTYNXRAF-YFNVTMOMSA-N 1 3 340.511 3.610 20 30 EHEDHO COc1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cc1C#N ZINC000174268167 1139410336 /nfs/dbraw/zinc/41/03/36/1139410336.db2.gz FPSZVLLBPJWQQI-UHFFFAOYSA-N 1 3 337.467 3.697 20 30 EHEDHO COc1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cc1C#N ZINC000174268167 1139410339 /nfs/dbraw/zinc/41/03/39/1139410339.db2.gz FPSZVLLBPJWQQI-UHFFFAOYSA-N 1 3 337.467 3.697 20 30 EHEDHO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000602606744 1033024536 /nfs/dbraw/zinc/02/45/36/1033024536.db2.gz GLHQOEOPPNCELW-GFOJFJKKSA-N 1 3 325.500 3.817 20 30 EHEDHO N#CC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000602608284 1033024035 /nfs/dbraw/zinc/02/40/35/1033024035.db2.gz LSOOBGWAHOCVQD-NNRACAPJSA-N 1 3 337.511 3.959 20 30 EHEDHO N#CCc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000398984906 1024746361 /nfs/dbraw/zinc/74/63/61/1024746361.db2.gz GMEYDMVDMWDAFX-XPWALMASSA-N 1 3 345.490 3.753 20 30 EHEDHO N#CCc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000398984906 1024746380 /nfs/dbraw/zinc/74/63/80/1024746380.db2.gz GMEYDMVDMWDAFX-XPWALMASSA-N 1 3 345.490 3.753 20 30 EHEDHO CN(C/C=C\C[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000255265203 1029362938 /nfs/dbraw/zinc/36/29/38/1029362938.db2.gz LYQQUVGVIUEEOE-ARJAWSKDSA-N 1 3 344.462 3.550 20 30 EHEDHO CN(C/C=C\C[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000255265203 1029362953 /nfs/dbraw/zinc/36/29/53/1029362953.db2.gz LYQQUVGVIUEEOE-ARJAWSKDSA-N 1 3 344.462 3.550 20 30 EHEDHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc(C#N)cc3)CC2)C1 ZINC000595056765 1033635827 /nfs/dbraw/zinc/63/58/27/1033635827.db2.gz WAEPCBSTEXIMDG-UTKZUKDTSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000594723209 1036174871 /nfs/dbraw/zinc/17/48/71/1036174871.db2.gz YVLPSRXUGKHYNL-QGZVFWFLSA-N 1 3 334.467 3.516 20 30 EHEDHO C=CC[C@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000766022323 1129817774 /nfs/dbraw/zinc/81/77/74/1129817774.db2.gz RDAPCHNKUMIBJA-UTKZUKDTSA-N 1 3 339.483 3.990 20 30 EHEDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000105448986 1135947981 /nfs/dbraw/zinc/94/79/81/1135947981.db2.gz DQMKUDYIPNBLKP-QGZVFWFLSA-N 1 3 337.467 3.719 20 30 EHEDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000105448986 1135947982 /nfs/dbraw/zinc/94/79/82/1135947982.db2.gz DQMKUDYIPNBLKP-QGZVFWFLSA-N 1 3 337.467 3.719 20 30 EHEDHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000180543031 1139844507 /nfs/dbraw/zinc/84/45/07/1139844507.db2.gz SQIBGNZOASJPOW-MRXNPFEDSA-N 1 3 327.472 3.647 20 30 EHEDHO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544248 1032953809 /nfs/dbraw/zinc/95/38/09/1032953809.db2.gz GQODPIHHVZCBIZ-MSOLQXFVSA-N 1 3 335.536 3.576 20 30 EHEDHO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544248 1032953826 /nfs/dbraw/zinc/95/38/26/1032953826.db2.gz GQODPIHHVZCBIZ-MSOLQXFVSA-N 1 3 335.536 3.576 20 30 EHEDHO C[C@@H]1CC2(CN1Cc1ccc(C#N)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000595893192 1034024061 /nfs/dbraw/zinc/02/40/61/1034024061.db2.gz NDOTWNOEMGYWGC-CYBMUJFWSA-N 1 3 337.389 3.541 20 30 EHEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000574005051 1037969171 /nfs/dbraw/zinc/96/91/71/1037969171.db2.gz BFPNMRODGNSMFI-REWPJTCUSA-N 1 3 345.490 3.700 20 30 EHEDHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488266317 1039023010 /nfs/dbraw/zinc/02/30/10/1039023010.db2.gz SFCCRWUUHWCMIJ-GCJKJVERSA-N 1 3 333.479 3.867 20 30 EHEDHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1cccc(C#N)c1 ZINC000130789065 1123794339 /nfs/dbraw/zinc/79/43/39/1123794339.db2.gz QAOWEQFJABKQFW-UHFFFAOYSA-N 1 3 349.478 3.665 20 30 EHEDHO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000281720160 1129714859 /nfs/dbraw/zinc/71/48/59/1129714859.db2.gz PCALBSOCBNYFOC-LAUBAEHRSA-N 1 3 349.478 3.567 20 30 EHEDHO C(=Nn1cnnc1-c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000853284246 1136523425 /nfs/dbraw/zinc/52/34/25/1136523425.db2.gz VDPUKNBMOWXGBC-UHFFFAOYSA-N 1 3 345.450 3.691 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001171193796 1137302037 /nfs/dbraw/zinc/30/20/37/1137302037.db2.gz CDMUZFONUCPFCT-QGZVFWFLSA-N 1 3 325.500 3.876 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001171193796 1137302038 /nfs/dbraw/zinc/30/20/38/1137302038.db2.gz CDMUZFONUCPFCT-QGZVFWFLSA-N 1 3 325.500 3.876 20 30 EHEDHO C#CCOc1cccc(Cl)c1CNCC1CC[NH+](CCC)CC1 ZINC001649171234 1138020743 /nfs/dbraw/zinc/02/07/43/1138020743.db2.gz NVAVGBWBPVVFKA-UHFFFAOYSA-N 1 3 334.891 3.564 20 30 EHEDHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185782021 1140169445 /nfs/dbraw/zinc/16/94/45/1140169445.db2.gz NATIYHZXXUGQLA-PKOBYXMFSA-N 1 3 329.488 3.579 20 30 EHEDHO CC1CC[NH+](C2CCC(NCc3ccc(C#N)cc3F)CC2)CC1 ZINC000269813196 1141146749 /nfs/dbraw/zinc/14/67/49/1141146749.db2.gz NAANGGUBDOBTEQ-UHFFFAOYSA-N 1 3 329.463 3.830 20 30 EHEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000602574378 1032982760 /nfs/dbraw/zinc/98/27/60/1032982760.db2.gz ZONQYPGTLCYZKA-OALUTQOASA-N 1 3 343.515 3.586 20 30 EHEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602574378 1032982770 /nfs/dbraw/zinc/98/27/70/1032982770.db2.gz ZONQYPGTLCYZKA-OALUTQOASA-N 1 3 343.515 3.586 20 30 EHEDHO COc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000383094065 1023027743 /nfs/dbraw/zinc/02/77/43/1023027743.db2.gz XFHNMCRTNARUNA-FQEVSTJZSA-N 1 3 349.478 3.521 20 30 EHEDHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000383094065 1023027752 /nfs/dbraw/zinc/02/77/52/1023027752.db2.gz XFHNMCRTNARUNA-FQEVSTJZSA-N 1 3 349.478 3.521 20 30 EHEDHO N#Cc1ccc2c(c1)[C@H](NCc1cccc(C[NH+]3CCCC3)c1)CC2 ZINC000353392431 1027766535 /nfs/dbraw/zinc/76/65/35/1027766535.db2.gz ZHWRANWHJOTVAO-JOCHJYFZSA-N 1 3 331.463 3.931 20 30 EHEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000424323464 1028970548 /nfs/dbraw/zinc/97/05/48/1028970548.db2.gz JEFRZBUOYHQPPG-CDJZJNNCSA-N 1 3 337.511 3.959 20 30 EHEDHO N#Cc1cccc(OCCN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000603848383 1033972679 /nfs/dbraw/zinc/97/26/79/1033972679.db2.gz PJQKYOZINSXFHY-UHFFFAOYSA-N 1 3 341.499 3.525 20 30 EHEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152479824 1036874901 /nfs/dbraw/zinc/87/49/01/1036874901.db2.gz AVOYUVHPYJMSSH-CVEARBPZSA-N 1 3 334.891 3.953 20 30 EHEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152479824 1036874918 /nfs/dbraw/zinc/87/49/18/1036874918.db2.gz AVOYUVHPYJMSSH-CVEARBPZSA-N 1 3 334.891 3.953 20 30 EHEDHO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)CN(C)C)cc1OC ZINC000623335901 1126917930 /nfs/dbraw/zinc/91/79/30/1126917930.db2.gz KRWFVHLAZRPYRS-UHFFFAOYSA-N 1 3 340.895 3.591 20 30 EHEDHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488013375 1121611895 /nfs/dbraw/zinc/61/18/95/1121611895.db2.gz WHOZTOIHPPCHBQ-GCJKJVERSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488013375 1121611899 /nfs/dbraw/zinc/61/18/99/1121611899.db2.gz WHOZTOIHPPCHBQ-GCJKJVERSA-N 1 3 333.479 3.867 20 30 EHEDHO CN(C)/C=N/c1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1C#N ZINC001169153802 1132680214 /nfs/dbraw/zinc/68/02/14/1132680214.db2.gz UJXJJISQDXUXJT-QGGRXXHISA-N 1 3 341.503 3.735 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172298905 1137549176 /nfs/dbraw/zinc/54/91/76/1137549176.db2.gz IEZHEOLZBREYAX-UWJYYQICSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172298905 1137549178 /nfs/dbraw/zinc/54/91/78/1137549178.db2.gz IEZHEOLZBREYAX-UWJYYQICSA-N 1 3 325.500 3.733 20 30 EHEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000876708706 1137659507 /nfs/dbraw/zinc/65/95/07/1137659507.db2.gz YSLIZBQIWSBBJW-QGZVFWFLSA-N 1 3 349.906 3.860 20 30 EHEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000876708706 1137659508 /nfs/dbraw/zinc/65/95/08/1137659508.db2.gz YSLIZBQIWSBBJW-QGZVFWFLSA-N 1 3 349.906 3.860 20 30 EHEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442719541 1025453134 /nfs/dbraw/zinc/45/31/34/1025453134.db2.gz QFUOAGCVYNFCKI-NYUBLWNDSA-N 1 3 325.500 3.946 20 30 EHEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442719541 1025453140 /nfs/dbraw/zinc/45/31/40/1025453140.db2.gz QFUOAGCVYNFCKI-NYUBLWNDSA-N 1 3 325.500 3.946 20 30 EHEDHO C#CCOc1ccccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000062426765 1034867601 /nfs/dbraw/zinc/86/76/01/1034867601.db2.gz RYBNHSGINBMJTE-OAQYLSRUSA-N 1 3 348.490 3.700 20 30 EHEDHO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000613256193 1035478262 /nfs/dbraw/zinc/47/82/62/1035478262.db2.gz QREOVRHFPRPMMG-LLVBAIKDSA-N 1 3 337.511 3.959 20 30 EHEDHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488266320 1039023565 /nfs/dbraw/zinc/02/35/65/1039023565.db2.gz SFCCRWUUHWCMIJ-XMSQKQJNSA-N 1 3 333.479 3.867 20 30 EHEDHO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000311120750 1128982227 /nfs/dbraw/zinc/98/22/27/1128982227.db2.gz HBIDSQLNGJEBEX-FCHUYYIVSA-N 1 3 331.463 3.512 20 30 EHEDHO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000311120750 1128982230 /nfs/dbraw/zinc/98/22/30/1128982230.db2.gz HBIDSQLNGJEBEX-FCHUYYIVSA-N 1 3 331.463 3.512 20 30 EHEDHO COc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000281720154 1129714763 /nfs/dbraw/zinc/71/47/63/1129714763.db2.gz PCALBSOCBNYFOC-DYESRHJHSA-N 1 3 349.478 3.567 20 30 EHEDHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC001175349962 1132646230 /nfs/dbraw/zinc/64/62/30/1132646230.db2.gz GUNZFWAZGSZSOU-HXUWFJFHSA-N 1 3 347.547 3.673 20 30 EHEDHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC001175349962 1132646237 /nfs/dbraw/zinc/64/62/37/1132646237.db2.gz GUNZFWAZGSZSOU-HXUWFJFHSA-N 1 3 347.547 3.673 20 30 EHEDHO CC1CC[NH+](CC[C@H]2CCCN2CCCC2(C#N)CCOCC2)CC1 ZINC001175349962 1132646241 /nfs/dbraw/zinc/64/62/41/1132646241.db2.gz GUNZFWAZGSZSOU-HXUWFJFHSA-N 1 3 347.547 3.673 20 30 EHEDHO CN(C1CC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170396314 1134764141 /nfs/dbraw/zinc/76/41/41/1134764141.db2.gz XMCNVETXLCDIAK-UHFFFAOYSA-N 1 3 337.511 3.949 20 30 EHEDHO C#CCCOc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738622 1135882705 /nfs/dbraw/zinc/88/27/05/1135882705.db2.gz BZTARYXMELMTHD-UHFFFAOYSA-N 1 3 336.479 3.782 20 30 EHEDHO C=CCOCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000780743044 1136018144 /nfs/dbraw/zinc/01/81/44/1136018144.db2.gz FXPCGZQDGJTXFI-QGZVFWFLSA-N 1 3 332.488 3.534 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001171195910 1137302051 /nfs/dbraw/zinc/30/20/51/1137302051.db2.gz WFJMRHXDMGOJQJ-UTKZUKDTSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001171195910 1137302052 /nfs/dbraw/zinc/30/20/52/1137302052.db2.gz WFJMRHXDMGOJQJ-UTKZUKDTSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001171221121 1137346912 /nfs/dbraw/zinc/34/69/12/1137346912.db2.gz IJCOSICWOWWARK-WIYYLYMNSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001171221121 1137346914 /nfs/dbraw/zinc/34/69/14/1137346914.db2.gz IJCOSICWOWWARK-WIYYLYMNSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000602606739 1033024677 /nfs/dbraw/zinc/02/46/77/1033024677.db2.gz GLHQOEOPPNCELW-AYWYSENESA-N 1 3 325.500 3.817 20 30 EHEDHO C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000618806670 1125208023 /nfs/dbraw/zinc/20/80/23/1125208023.db2.gz RDFUIRWHHKKTFH-ZHRRBRCNSA-N 1 3 349.478 3.837 20 30 EHEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544249 1032953337 /nfs/dbraw/zinc/95/33/37/1032953337.db2.gz GQODPIHHVZCBIZ-QZTJIDSGSA-N 1 3 335.536 3.576 20 30 EHEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544249 1032953349 /nfs/dbraw/zinc/95/33/49/1032953349.db2.gz GQODPIHHVZCBIZ-QZTJIDSGSA-N 1 3 335.536 3.576 20 30 EHEDHO N#CCc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000398984892 1024745505 /nfs/dbraw/zinc/74/55/05/1024745505.db2.gz GMEYDMVDMWDAFX-DNVJHFABSA-N 1 3 345.490 3.753 20 30 EHEDHO N#CCc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000398984892 1024745517 /nfs/dbraw/zinc/74/55/17/1024745517.db2.gz GMEYDMVDMWDAFX-DNVJHFABSA-N 1 3 345.490 3.753 20 30 EHEDHO N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000421865913 1028859954 /nfs/dbraw/zinc/85/99/54/1028859954.db2.gz ARXZQBZGOCSOGP-BCDXTJNWSA-N 1 3 337.492 3.905 20 30 EHEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000171562877 1034463161 /nfs/dbraw/zinc/46/31/61/1034463161.db2.gz VMDUMZFQRKQRSS-SFHVURJKSA-N 1 3 349.478 3.863 20 30 EHEDHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488425948 1039161995 /nfs/dbraw/zinc/16/19/95/1039161995.db2.gz HAHUFEMGDDLQHJ-NRFANRHFSA-N 1 3 333.479 3.821 20 30 EHEDHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488425948 1039162001 /nfs/dbraw/zinc/16/20/01/1039162001.db2.gz HAHUFEMGDDLQHJ-NRFANRHFSA-N 1 3 333.479 3.821 20 30 EHEDHO C#CCOc1ccc(CNCc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000236926098 1040193857 /nfs/dbraw/zinc/19/38/57/1040193857.db2.gz FLEDCRKFXFSTPZ-UHFFFAOYSA-N 1 3 336.479 3.830 20 30 EHEDHO CN(Cc1ccc(C#N)cc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131206272 1126968215 /nfs/dbraw/zinc/96/82/15/1126968215.db2.gz SMTXRTGBYMGAER-UHFFFAOYSA-N 1 3 349.478 3.665 20 30 EHEDHO Cc1cc(C#N)cc(C)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000922242030 1129390143 /nfs/dbraw/zinc/39/01/43/1129390143.db2.gz AFXQHKKENWVEBY-UHFFFAOYSA-N 1 3 348.494 3.572 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001171228957 1137353586 /nfs/dbraw/zinc/35/35/86/1137353586.db2.gz JYSSQONMTHIZHE-JRGCBEDISA-N 1 3 325.500 3.828 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001171228957 1137353588 /nfs/dbraw/zinc/35/35/88/1137353588.db2.gz JYSSQONMTHIZHE-JRGCBEDISA-N 1 3 325.500 3.828 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172318937 1137546774 /nfs/dbraw/zinc/54/67/74/1137546774.db2.gz JNRJKMRBZAUDJJ-SXSPYAJSSA-N 1 3 345.490 3.553 20 30 EHEDHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181681985 1139924097 /nfs/dbraw/zinc/92/40/97/1139924097.db2.gz UEZPAELBUACGMK-RXVVDRJESA-N 1 3 333.479 3.773 20 30 EHEDHO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185697163 1140164274 /nfs/dbraw/zinc/16/42/74/1140164274.db2.gz RXNQFNIAODAGLW-MJGOQNOKSA-N 1 3 341.499 3.570 20 30 EHEDHO C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000266607589 1140707657 /nfs/dbraw/zinc/70/76/57/1140707657.db2.gz ZAOFPPJGKPGINF-NRFANRHFSA-N 1 3 349.478 3.543 20 30 EHEDHO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000266607589 1140707663 /nfs/dbraw/zinc/70/76/63/1140707663.db2.gz ZAOFPPJGKPGINF-NRFANRHFSA-N 1 3 349.478 3.543 20 30 EHEDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271065757 1141303851 /nfs/dbraw/zinc/30/38/51/1141303851.db2.gz JCOFRNGHZROXTF-OMYXNUHHSA-N 1 3 325.500 3.853 20 30 EHEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442719540 1025453899 /nfs/dbraw/zinc/45/38/99/1025453899.db2.gz QFUOAGCVYNFCKI-IIMDRIAPSA-N 1 3 325.500 3.946 20 30 EHEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442719540 1025453903 /nfs/dbraw/zinc/45/39/03/1025453903.db2.gz QFUOAGCVYNFCKI-IIMDRIAPSA-N 1 3 325.500 3.946 20 30 EHEDHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000078878046 1028283599 /nfs/dbraw/zinc/28/35/99/1028283599.db2.gz BPJTYVOYCZXCTF-GOSISDBHSA-N 1 3 349.478 3.884 20 30 EHEDHO C=CCc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc(OC)c1O ZINC000534347815 1034422124 /nfs/dbraw/zinc/42/21/24/1034422124.db2.gz QEDMPQYTYLHVHH-UHFFFAOYSA-N 1 3 346.515 3.682 20 30 EHEDHO C=CCc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1O ZINC000534347815 1034422137 /nfs/dbraw/zinc/42/21/37/1034422137.db2.gz QEDMPQYTYLHVHH-UHFFFAOYSA-N 1 3 346.515 3.682 20 30 EHEDHO N#Cc1c(F)cccc1CNCC1CC[NH+](Cc2cccs2)CC1 ZINC000602009850 1034857831 /nfs/dbraw/zinc/85/78/31/1034857831.db2.gz XZPJTPCPLSXESM-UHFFFAOYSA-N 1 3 343.471 3.761 20 30 EHEDHO CC[NH+](CC)CCCC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000541088922 1035972821 /nfs/dbraw/zinc/97/28/21/1035972821.db2.gz GKVANUKYRWZGRX-UHFFFAOYSA-N 1 3 343.515 3.901 20 30 EHEDHO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309789434 1128914717 /nfs/dbraw/zinc/91/47/17/1128914717.db2.gz OGRJWTNTVDLIEM-WBVHZDCISA-N 1 3 325.481 3.620 20 30 EHEDHO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000272231032 1121102444 /nfs/dbraw/zinc/10/24/44/1121102444.db2.gz UQBUMHWOEFXPTH-XLIONFOSSA-N 1 3 349.478 3.567 20 30 EHEDHO C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000272281161 1121509937 /nfs/dbraw/zinc/50/99/37/1121509937.db2.gz OTBJGVCVBNIALE-KRWDZBQOSA-N 1 3 349.478 3.839 20 30 EHEDHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013378 1121611708 /nfs/dbraw/zinc/61/17/08/1121611708.db2.gz WHOZTOIHPPCHBQ-PGRDOPGGSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013378 1121611712 /nfs/dbraw/zinc/61/17/12/1121611712.db2.gz WHOZTOIHPPCHBQ-PGRDOPGGSA-N 1 3 333.479 3.867 20 30 EHEDHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC001175349960 1132645515 /nfs/dbraw/zinc/64/55/15/1132645515.db2.gz GUNZFWAZGSZSOU-FQEVSTJZSA-N 1 3 347.547 3.673 20 30 EHEDHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC001175349960 1132645519 /nfs/dbraw/zinc/64/55/19/1132645519.db2.gz GUNZFWAZGSZSOU-FQEVSTJZSA-N 1 3 347.547 3.673 20 30 EHEDHO CC1CC[NH+](CC[C@@H]2CCCN2CCCC2(C#N)CCOCC2)CC1 ZINC001175349960 1132645524 /nfs/dbraw/zinc/64/55/24/1132645524.db2.gz GUNZFWAZGSZSOU-FQEVSTJZSA-N 1 3 347.547 3.673 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001171222120 1137348171 /nfs/dbraw/zinc/34/81/71/1137348171.db2.gz DXXHDZMWJNPPRZ-YSZBQJHXSA-N 1 3 345.490 3.553 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001171222120 1137348173 /nfs/dbraw/zinc/34/81/73/1137348173.db2.gz DXXHDZMWJNPPRZ-YSZBQJHXSA-N 1 3 345.490 3.553 20 30 EHEDHO N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172070453 1137530130 /nfs/dbraw/zinc/53/01/30/1137530130.db2.gz OSZZPKIKWAZDPL-KOUNCHBCSA-N 1 3 346.478 3.629 20 30 EHEDHO CCCCCCC[C@H](CC)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001172358381 1137554606 /nfs/dbraw/zinc/55/46/06/1137554606.db2.gz OLKCSXAXOSFXFE-KRWDZBQOSA-N 1 3 326.525 3.872 20 30 EHEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000152952958 1026803602 /nfs/dbraw/zinc/80/36/02/1026803602.db2.gz LCWKLQPOCWILGI-INIZCTEOSA-N 1 3 332.488 3.703 20 30 EHEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)c(F)c1 ZINC000421358460 1028309612 /nfs/dbraw/zinc/30/96/12/1028309612.db2.gz TVTONGVLMUFZJR-UHFFFAOYSA-N 1 3 325.431 3.781 20 30 EHEDHO CC1(C#N)CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000423483161 1028475137 /nfs/dbraw/zinc/47/51/37/1028475137.db2.gz YLHRWBSRMKTZCJ-OXHPOLQJSA-N 1 3 329.463 3.581 20 30 EHEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550886397 1030764456 /nfs/dbraw/zinc/76/44/56/1030764456.db2.gz OTQPCHJHTHUOGG-PZJWPPBQSA-N 1 3 342.527 3.860 20 30 EHEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC#Cc1ccccc1 ZINC000483730058 1031305449 /nfs/dbraw/zinc/30/54/49/1031305449.db2.gz PJHKRMTUOMUORC-WOJBJXKFSA-N 1 3 332.491 3.784 20 30 EHEDHO C=CCN(Cc1cc(Br)ccc1F)CC1CC[NH2+]CC1 ZINC000178970424 1031726030 /nfs/dbraw/zinc/72/60/30/1031726030.db2.gz RVGRCPLDBBWRCW-UHFFFAOYSA-N 1 3 341.268 3.576 20 30 EHEDHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131836 1032045129 /nfs/dbraw/zinc/04/51/29/1032045129.db2.gz KUPMIQJIWXWPGZ-QUCCMNQESA-N 1 3 349.478 3.762 20 30 EHEDHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131836 1032045145 /nfs/dbraw/zinc/04/51/45/1032045145.db2.gz KUPMIQJIWXWPGZ-QUCCMNQESA-N 1 3 349.478 3.762 20 30 EHEDHO CN1CCCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000599069180 1033710086 /nfs/dbraw/zinc/71/00/86/1033710086.db2.gz CTCCCPGVGWZRKA-KMFTYDHNSA-N 1 3 325.500 3.712 20 30 EHEDHO C[NH+](C)Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179778946 1034599833 /nfs/dbraw/zinc/59/98/33/1034599833.db2.gz JUEGEMLENIJPDA-UHFFFAOYSA-N 1 3 348.494 3.696 20 30 EHEDHO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000613256194 1035478338 /nfs/dbraw/zinc/47/83/38/1035478338.db2.gz QREOVRHFPRPMMG-LXHROKJGSA-N 1 3 337.511 3.959 20 30 EHEDHO C[C@@H]1C[C@@H](NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000399043141 1036605785 /nfs/dbraw/zinc/60/57/85/1036605785.db2.gz SGUVXHPWVIAZBT-GCJKJVERSA-N 1 3 333.479 3.895 20 30 EHEDHO C[C@@H]1C[C@@H](NCc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399043141 1036605797 /nfs/dbraw/zinc/60/57/97/1036605797.db2.gz SGUVXHPWVIAZBT-GCJKJVERSA-N 1 3 333.479 3.895 20 30 EHEDHO CC(C)(C#N)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000539568780 1036930357 /nfs/dbraw/zinc/93/03/57/1036930357.db2.gz FKAONWTYDAPSSH-WOJBJXKFSA-N 1 3 325.500 3.913 20 30 EHEDHO CC(C)(C#N)CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000539568780 1036930371 /nfs/dbraw/zinc/93/03/71/1036930371.db2.gz FKAONWTYDAPSSH-WOJBJXKFSA-N 1 3 325.500 3.913 20 30 EHEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000574005047 1037968595 /nfs/dbraw/zinc/96/85/95/1037968595.db2.gz BFPNMRODGNSMFI-NZQKXSOJSA-N 1 3 345.490 3.700 20 30 EHEDHO C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738601 1135882679 /nfs/dbraw/zinc/88/26/79/1135882679.db2.gz AZHNNKHRUKIUEI-KRWDZBQOSA-N 1 3 337.467 3.671 20 30 EHEDHO N#CC1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886605315 1138100952 /nfs/dbraw/zinc/10/09/52/1138100952.db2.gz NSJZSSDDCPUSHV-ARKNQYIKSA-N 1 3 337.511 3.959 20 30 EHEDHO Cc1cc(C#N)ccc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000614397602 1018965486 /nfs/dbraw/zinc/96/54/86/1018965486.db2.gz HZJXFHDZGKJFET-UHFFFAOYSA-N 1 3 325.500 3.955 20 30 EHEDHO C#CCCC1(CCN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)N=N1 ZINC001168040687 1025335335 /nfs/dbraw/zinc/33/53/35/1025335335.db2.gz ODRQEMNJCYMIOP-OPVJXMOQSA-N 1 3 338.499 3.983 20 30 EHEDHO C#CCCC1(CCN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)N=N1 ZINC001168040687 1025335347 /nfs/dbraw/zinc/33/53/47/1025335347.db2.gz ODRQEMNJCYMIOP-OPVJXMOQSA-N 1 3 338.499 3.983 20 30 EHEDHO C[NH+](C)CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594519823 1033426934 /nfs/dbraw/zinc/42/69/34/1033426934.db2.gz LPVUBCMLZHEJRT-UHFFFAOYSA-N 1 3 349.478 3.668 20 30 EHEDHO C[N@@H+]1C[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)C1 ZINC000594952154 1033596408 /nfs/dbraw/zinc/59/64/08/1033596408.db2.gz WZYBFKAGRGNOTC-IRLDBZIGSA-N 1 3 345.490 3.677 20 30 EHEDHO C[N@H+]1C[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)C1 ZINC000594952154 1033596414 /nfs/dbraw/zinc/59/64/14/1033596414.db2.gz WZYBFKAGRGNOTC-IRLDBZIGSA-N 1 3 345.490 3.677 20 30 EHEDHO C[C@H](NCc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399006830 1036606450 /nfs/dbraw/zinc/60/64/50/1036606450.db2.gz YYHYOZLYZZDPCJ-PGRDOPGGSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@H](NCc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399006830 1036606461 /nfs/dbraw/zinc/60/64/61/1036606461.db2.gz YYHYOZLYZZDPCJ-PGRDOPGGSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000399006830 1036606470 /nfs/dbraw/zinc/60/64/70/1036606470.db2.gz YYHYOZLYZZDPCJ-PGRDOPGGSA-N 1 3 333.479 3.753 20 30 EHEDHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000278886467 1042838627 /nfs/dbraw/zinc/83/86/27/1042838627.db2.gz YHHDJMSYQWEOHU-FQEVSTJZSA-N 1 3 337.467 3.740 20 30 EHEDHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290938 1044556171 /nfs/dbraw/zinc/55/61/71/1044556171.db2.gz BLVPWJCTSNCNRF-QHCPKHFHSA-N 1 3 345.490 3.965 20 30 EHEDHO Cc1cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290938 1044556184 /nfs/dbraw/zinc/55/61/84/1044556184.db2.gz BLVPWJCTSNCNRF-QHCPKHFHSA-N 1 3 345.490 3.965 20 30 EHEDHO C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000272185778 1120523712 /nfs/dbraw/zinc/52/37/12/1120523712.db2.gz GOMVSAYGXFKTIO-KRWDZBQOSA-N 1 3 349.478 3.839 20 30 EHEDHO C[C@H]1C[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000766107935 1130323334 /nfs/dbraw/zinc/32/33/34/1130323334.db2.gz JIIHEMSKMQZZJU-WMLDXEAASA-N 1 3 325.481 3.859 20 30 EHEDHO C[C@H]1C[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000766107935 1130323340 /nfs/dbraw/zinc/32/33/40/1130323340.db2.gz JIIHEMSKMQZZJU-WMLDXEAASA-N 1 3 325.481 3.859 20 30 EHEDHO CN(C)/C=N/c1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1C#N ZINC001169153801 1132680384 /nfs/dbraw/zinc/68/03/84/1132680384.db2.gz UJXJJISQDXUXJT-PNYYXPLCSA-N 1 3 341.503 3.735 20 30 EHEDHO CCCN1C[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]2C1 ZINC001170398372 1134764862 /nfs/dbraw/zinc/76/48/62/1134764862.db2.gz PDHNWEVDIJVQIZ-RVEPMOMFSA-N 1 3 337.511 3.664 20 30 EHEDHO C#Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)cc1 ZINC001144571796 1137311565 /nfs/dbraw/zinc/31/15/65/1137311565.db2.gz ISMIGTPNFKJWOC-UHFFFAOYSA-N 1 3 345.490 3.551 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172312799 1137546414 /nfs/dbraw/zinc/54/64/14/1137546414.db2.gz JNRJKMRBZAUDJJ-YSZBQJHXSA-N 1 3 345.490 3.553 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172312799 1137546415 /nfs/dbraw/zinc/54/64/15/1137546415.db2.gz JNRJKMRBZAUDJJ-YSZBQJHXSA-N 1 3 345.490 3.553 20 30 EHEDHO C=CCC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192789231 1140550682 /nfs/dbraw/zinc/55/06/82/1140550682.db2.gz BOHVYRLCGXDBRH-NRFANRHFSA-N 1 3 329.532 3.700 20 30 EHEDHO C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000266607591 1140708031 /nfs/dbraw/zinc/70/80/31/1140708031.db2.gz ZAOFPPJGKPGINF-OAQYLSRUSA-N 1 3 349.478 3.543 20 30 EHEDHO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000266607591 1140708034 /nfs/dbraw/zinc/70/80/34/1140708034.db2.gz ZAOFPPJGKPGINF-OAQYLSRUSA-N 1 3 349.478 3.543 20 30 EHEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000348960932 1141615261 /nfs/dbraw/zinc/61/52/61/1141615261.db2.gz CRZSVFFDKKJRQT-UHFFFAOYSA-N 1 3 337.467 3.651 20 30 EHEDHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000154325319 1015367523 /nfs/dbraw/zinc/36/75/23/1015367523.db2.gz XCSPMEOKGHEQHM-SJORKVTESA-N 1 3 337.467 3.910 20 30 EHEDHO C=CCN1CCC[C@H]1C[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168026940 1024467738 /nfs/dbraw/zinc/46/77/38/1024467738.db2.gz MKQQXYVXOMODIW-KNKQGSTJSA-N 1 3 341.543 3.668 20 30 EHEDHO N#Cc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685171 1025068281 /nfs/dbraw/zinc/06/82/81/1025068281.db2.gz XIBILVXOQQFCHY-LJQANCHMSA-N 1 3 337.492 3.764 20 30 EHEDHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2cccc(C#N)c2)CC1 ZINC000467447582 1025638492 /nfs/dbraw/zinc/63/84/92/1025638492.db2.gz ASTJCDMMHLWZGF-UWJYYQICSA-N 1 3 325.500 3.733 20 30 EHEDHO N#CC1(c2ccc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000597031155 1034505438 /nfs/dbraw/zinc/50/54/38/1034505438.db2.gz VQHPRYUGBGNDQY-WIYYLYMNSA-N 1 3 335.495 3.690 20 30 EHEDHO N#CC1(c2ccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000597031155 1034505451 /nfs/dbraw/zinc/50/54/51/1034505451.db2.gz VQHPRYUGBGNDQY-WIYYLYMNSA-N 1 3 335.495 3.690 20 30 EHEDHO C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591839143 1037648124 /nfs/dbraw/zinc/64/81/24/1037648124.db2.gz YHLVCKBTBGRTFA-KRWDZBQOSA-N 1 3 337.467 3.692 20 30 EHEDHO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000774128648 1133619269 /nfs/dbraw/zinc/61/92/69/1133619269.db2.gz CIDFHKRHVSGFMN-DKUWSORSSA-N 1 3 331.463 3.843 20 30 EHEDHO Cc1cc(C#N)cc(C)c1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC001199239060 1135889394 /nfs/dbraw/zinc/88/93/94/1135889394.db2.gz YQLQXHUGACTCAW-UHFFFAOYSA-N 1 3 333.479 3.713 20 30 EHEDHO Cc1cc(C#N)cc(C)c1CNCCC[N@H+]1CCc2ccccc2C1 ZINC001199239060 1135889396 /nfs/dbraw/zinc/88/93/96/1135889396.db2.gz YQLQXHUGACTCAW-UHFFFAOYSA-N 1 3 333.479 3.713 20 30 EHEDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000105448984 1135948099 /nfs/dbraw/zinc/94/80/99/1135948099.db2.gz DQMKUDYIPNBLKP-KRWDZBQOSA-N 1 3 337.467 3.719 20 30 EHEDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000105448984 1135948103 /nfs/dbraw/zinc/94/81/03/1135948103.db2.gz DQMKUDYIPNBLKP-KRWDZBQOSA-N 1 3 337.467 3.719 20 30 EHEDHO CCN(CC)c1ccc(/C=[NH+]\C2CC([NH+]3CCCCC3)C2)c([O-])c1 ZINC000794849291 1137296893 /nfs/dbraw/zinc/29/68/93/1137296893.db2.gz WFLASUKRHHTFDL-QNGOZBTKSA-N 1 3 329.488 3.674 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001171194982 1137301479 /nfs/dbraw/zinc/30/14/79/1137301479.db2.gz OATJDGKPWJXRIY-KRWDZBQOSA-N 1 3 325.500 3.733 20 30 EHEDHO CCCCCCC[C@@H](CC)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001172358384 1137554452 /nfs/dbraw/zinc/55/44/52/1137554452.db2.gz OLKCSXAXOSFXFE-QGZVFWFLSA-N 1 3 326.525 3.872 20 30 EHEDHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185782059 1140169305 /nfs/dbraw/zinc/16/93/05/1140169305.db2.gz NATIYHZXXUGQLA-IEBWSBKVSA-N 1 3 329.488 3.579 20 30 EHEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442719542 1025453278 /nfs/dbraw/zinc/45/32/78/1025453278.db2.gz QFUOAGCVYNFCKI-TWFHAPMSSA-N 1 3 325.500 3.946 20 30 EHEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442719542 1025453282 /nfs/dbraw/zinc/45/32/82/1025453282.db2.gz QFUOAGCVYNFCKI-TWFHAPMSSA-N 1 3 325.500 3.946 20 30 EHEDHO Cc1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)ccc1C#N ZINC000443986862 1036214524 /nfs/dbraw/zinc/21/45/24/1036214524.db2.gz GEIFNFMLFKYVHD-NRFANRHFSA-N 1 3 333.479 3.521 20 30 EHEDHO C=CC[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000766019116 1129804139 /nfs/dbraw/zinc/80/41/39/1129804139.db2.gz KDOZJEUUFDEUSF-LAUBAEHRSA-N 1 3 339.483 3.990 20 30 EHEDHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000701831813 1130175563 /nfs/dbraw/zinc/17/55/63/1130175563.db2.gz SOAAKSIRBHTUBT-NQIIRXRSSA-N 1 3 333.479 3.867 20 30 EHEDHO CN(C)/C=N/c1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1C#N ZINC001169153799 1132680732 /nfs/dbraw/zinc/68/07/32/1132680732.db2.gz UJXJJISQDXUXJT-MQKWGWFZSA-N 1 3 341.503 3.735 20 30 EHEDHO C#CCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794827138 1137267785 /nfs/dbraw/zinc/26/77/85/1137267785.db2.gz ICLDHUZTTMJBHL-FPOVZHCZSA-N 1 3 348.490 3.871 20 30 EHEDHO C#CCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000794827138 1137267786 /nfs/dbraw/zinc/26/77/86/1137267786.db2.gz ICLDHUZTTMJBHL-FPOVZHCZSA-N 1 3 348.490 3.871 20 30 EHEDHO CN(C)C[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054506 1140562377 /nfs/dbraw/zinc/56/23/77/1140562377.db2.gz YXHPLLONPOCYAL-HXUWFJFHSA-N 1 3 347.506 3.770 20 30 EHEDHO CN(C)C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054506 1140562381 /nfs/dbraw/zinc/56/23/81/1140562381.db2.gz YXHPLLONPOCYAL-HXUWFJFHSA-N 1 3 347.506 3.770 20 30 EHEDHO N#CC1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000602665466 1033061750 /nfs/dbraw/zinc/06/17/50/1033061750.db2.gz BZEZAUIKGFXHEP-VEDCXYSMSA-N 1 3 325.500 3.961 20 30 EHEDHO COc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)ccc1C#N ZINC000442883465 1025565111 /nfs/dbraw/zinc/56/51/11/1025565111.db2.gz VIDRVBXDLZEMGB-UHFFFAOYSA-N 1 3 341.499 3.655 20 30 EHEDHO N#Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC000595000707 1033625767 /nfs/dbraw/zinc/62/57/67/1033625767.db2.gz NDWCVIZKAHTMSE-QFIPXVFZSA-N 1 3 345.490 3.950 20 30 EHEDHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000610829902 1037240224 /nfs/dbraw/zinc/24/02/24/1037240224.db2.gz RGQDWAYZWOVDRO-DLBZAZTESA-N 1 3 337.467 3.910 20 30 EHEDHO C=CC[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](CC=C)C3)COC2)C1 ZINC000661380308 1042093734 /nfs/dbraw/zinc/09/37/34/1042093734.db2.gz FIUPNWIBQJMDOI-PMACEKPBSA-N 1 3 332.532 3.579 20 30 EHEDHO C=CC[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](CC=C)C3)COC2)C1 ZINC000661380308 1042093740 /nfs/dbraw/zinc/09/37/40/1042093740.db2.gz FIUPNWIBQJMDOI-PMACEKPBSA-N 1 3 332.532 3.579 20 30 EHEDHO C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000272281167 1121510805 /nfs/dbraw/zinc/51/08/05/1121510805.db2.gz OTBJGVCVBNIALE-QGZVFWFLSA-N 1 3 349.478 3.839 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001171221117 1137346843 /nfs/dbraw/zinc/34/68/43/1137346843.db2.gz IJCOSICWOWWARK-NQIIRXRSSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001171221117 1137346844 /nfs/dbraw/zinc/34/68/44/1137346844.db2.gz IJCOSICWOWWARK-NQIIRXRSSA-N 1 3 325.500 3.830 20 30 EHEDHO COc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1C#N ZINC000174312861 1139413640 /nfs/dbraw/zinc/41/36/40/1139413640.db2.gz KVSMGKQMOZVQFE-UHFFFAOYSA-N 1 3 337.467 3.697 20 30 EHEDHO COc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1C#N ZINC000174312861 1139413643 /nfs/dbraw/zinc/41/36/43/1139413643.db2.gz KVSMGKQMOZVQFE-UHFFFAOYSA-N 1 3 337.467 3.697 20 30 EHEDHO CC[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592402383 1032797814 /nfs/dbraw/zinc/79/78/14/1032797814.db2.gz GLMULYKWINZARL-BHIFYINESA-N 1 3 333.479 3.944 20 30 EHEDHO CC[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592402383 1032797829 /nfs/dbraw/zinc/79/78/29/1032797829.db2.gz GLMULYKWINZARL-BHIFYINESA-N 1 3 333.479 3.944 20 30 EHEDHO N#CCc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000398984901 1024745818 /nfs/dbraw/zinc/74/58/18/1024745818.db2.gz GMEYDMVDMWDAFX-RJGXRXQPSA-N 1 3 345.490 3.753 20 30 EHEDHO N#CCc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000398984901 1024745827 /nfs/dbraw/zinc/74/58/27/1024745827.db2.gz GMEYDMVDMWDAFX-RJGXRXQPSA-N 1 3 345.490 3.753 20 30 EHEDHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421354095 1028297644 /nfs/dbraw/zinc/29/76/44/1028297644.db2.gz VITMZEYLGQAVOL-INIZCTEOSA-N 1 3 339.508 3.805 20 30 EHEDHO C[C@H](C#N)Oc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000171562970 1034462460 /nfs/dbraw/zinc/46/24/60/1034462460.db2.gz PGZMSXHIQRBDAZ-GOSISDBHSA-N 1 3 349.478 3.863 20 30 EHEDHO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000613256195 1035478422 /nfs/dbraw/zinc/47/84/22/1035478422.db2.gz QREOVRHFPRPMMG-QMCAAQAGSA-N 1 3 337.511 3.959 20 30 EHEDHO N#Cc1ccc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898522016 1039197939 /nfs/dbraw/zinc/19/79/39/1039197939.db2.gz IKKVJHBHKRIJIZ-QYZOEREBSA-N 1 3 335.451 3.542 20 30 EHEDHO N#Cc1ccc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898522016 1039197950 /nfs/dbraw/zinc/19/79/50/1039197950.db2.gz IKKVJHBHKRIJIZ-QYZOEREBSA-N 1 3 335.451 3.542 20 30 EHEDHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488266316 1123699099 /nfs/dbraw/zinc/69/90/99/1123699099.db2.gz SFCCRWUUHWCMIJ-AVRDEDQJSA-N 1 3 333.479 3.867 20 30 EHEDHO C[C@H](C#N)Oc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000237593360 1123781715 /nfs/dbraw/zinc/78/17/15/1123781715.db2.gz UBIQPGSINNDTCA-GOSISDBHSA-N 1 3 349.478 3.515 20 30 EHEDHO C[C@H](C#N)Oc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000237593360 1123781720 /nfs/dbraw/zinc/78/17/20/1123781720.db2.gz UBIQPGSINNDTCA-GOSISDBHSA-N 1 3 349.478 3.515 20 30 EHEDHO C#CCCOc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000113315488 1136694113 /nfs/dbraw/zinc/69/41/13/1136694113.db2.gz LYEDBABSAGUHTQ-UHFFFAOYSA-N 1 3 348.490 3.974 20 30 EHEDHO C#CCOc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000113317907 1136694620 /nfs/dbraw/zinc/69/46/20/1136694620.db2.gz AXKBEZVMXWSPOQ-UHFFFAOYSA-N 1 3 334.463 3.584 20 30 EHEDHO C=C(C)COCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820821175 1137005651 /nfs/dbraw/zinc/00/56/51/1137005651.db2.gz CVWHWGJOSDOBAD-SEJPIABJSA-N 1 3 328.500 3.754 20 30 EHEDHO C=C(C)COCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820821175 1137005653 /nfs/dbraw/zinc/00/56/53/1137005653.db2.gz CVWHWGJOSDOBAD-SEJPIABJSA-N 1 3 328.500 3.754 20 30 EHEDHO C=C(C)COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OC ZINC000174600585 1139430867 /nfs/dbraw/zinc/43/08/67/1139430867.db2.gz ZYKDQSJCLFOPDR-YQQQUEKLSA-N 1 3 344.499 3.755 20 30 EHEDHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681953 1139924506 /nfs/dbraw/zinc/92/45/06/1139924506.db2.gz JMMOFUKJOLXCPA-WIYYLYMNSA-N 1 3 333.479 3.773 20 30 EHEDHO CN(Cc1ccccc1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926236 1015617539 /nfs/dbraw/zinc/61/75/39/1015617539.db2.gz LPKOGKZWHFMTNI-UHFFFAOYSA-N 1 3 333.479 3.697 20 30 EHEDHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134996441 1017994532 /nfs/dbraw/zinc/99/45/32/1017994532.db2.gz BNPQXLLRJNPHEA-UHFFFAOYSA-N 1 3 329.488 3.511 20 30 EHEDHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134996441 1017994539 /nfs/dbraw/zinc/99/45/39/1017994539.db2.gz BNPQXLLRJNPHEA-UHFFFAOYSA-N 1 3 329.488 3.511 20 30 EHEDHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000592403597 1032800730 /nfs/dbraw/zinc/80/07/30/1032800730.db2.gz PRSGVDWFRCJEGQ-ZTNFWEORSA-N 1 3 337.442 3.693 20 30 EHEDHO C[C@@H]1CN(CCC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000177500146 1031548249 /nfs/dbraw/zinc/54/82/49/1031548249.db2.gz YAGUGCNMZVEONH-HDICACEKSA-N 1 3 335.536 3.528 20 30 EHEDHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(C#N)cc2)CC1 ZINC000595055181 1033633161 /nfs/dbraw/zinc/63/31/61/1033633161.db2.gz ACDHFYLYWVSGSL-UTKZUKDTSA-N 1 3 325.500 3.733 20 30 EHEDHO N#Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898522015 1039196701 /nfs/dbraw/zinc/19/67/01/1039196701.db2.gz IKKVJHBHKRIJIZ-CEXWTWQISA-N 1 3 335.451 3.542 20 30 EHEDHO N#Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898522015 1039196709 /nfs/dbraw/zinc/19/67/09/1039196709.db2.gz IKKVJHBHKRIJIZ-CEXWTWQISA-N 1 3 335.451 3.542 20 30 EHEDHO N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H](N)Cc2ccccc2)CC1 ZINC000602023004 1042657204 /nfs/dbraw/zinc/65/72/04/1042657204.db2.gz VQPXHASTYKADAT-DDRJZQQSSA-N 1 3 347.506 3.940 20 30 EHEDHO C=CC[NH+]1CCC(NCc2ccc(OCCCC)c(OC)c2)CC1 ZINC000236683368 1120153528 /nfs/dbraw/zinc/15/35/28/1120153528.db2.gz RFPOJDLSRBNRJJ-UHFFFAOYSA-N 1 3 332.488 3.614 20 30 EHEDHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013372 1121611801 /nfs/dbraw/zinc/61/18/01/1121611801.db2.gz WHOZTOIHPPCHBQ-AVRDEDQJSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013372 1121611803 /nfs/dbraw/zinc/61/18/03/1121611803.db2.gz WHOZTOIHPPCHBQ-AVRDEDQJSA-N 1 3 333.479 3.867 20 30 EHEDHO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)C1 ZINC001199336427 1135895766 /nfs/dbraw/zinc/89/57/66/1135895766.db2.gz OIZNTKLVXCCDMK-KNQAVFIVSA-N 1 3 341.543 3.659 20 30 EHEDHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617376 1137369857 /nfs/dbraw/zinc/36/98/57/1137369857.db2.gz IBSQGRZYWDYZLN-NPFVIJTESA-N 1 3 337.511 3.658 20 30 EHEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886605094 1138101144 /nfs/dbraw/zinc/10/11/44/1138101144.db2.gz JKWNIWDTYNXRAF-WIYBCGNWSA-N 1 3 340.511 3.610 20 30 EHEDHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682035 1139924203 /nfs/dbraw/zinc/92/42/03/1139924203.db2.gz UEZPAELBUACGMK-WIYYLYMNSA-N 1 3 333.479 3.773 20 30 EHEDHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000610829925 1023780336 /nfs/dbraw/zinc/78/03/36/1023780336.db2.gz SANASUFYPGJVOG-SJORKVTESA-N 1 3 337.467 3.910 20 30 EHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(Br)cc2C)CC1 ZINC000532346299 1030572747 /nfs/dbraw/zinc/57/27/47/1030572747.db2.gz ZGKFFDJKVZFGHA-UHFFFAOYSA-N 1 3 337.305 3.888 20 30 EHEDHO N#Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC000595000706 1033626527 /nfs/dbraw/zinc/62/65/27/1033626527.db2.gz NDWCVIZKAHTMSE-JOCHJYFZSA-N 1 3 345.490 3.950 20 30 EHEDHO N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000282125563 1121846771 /nfs/dbraw/zinc/84/67/71/1121846771.db2.gz BBTSAWYMTNMOFU-FSHZEEBSSA-N 1 3 337.511 3.817 20 30 EHEDHO N#Cc1ccc(CC[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001208927472 1015610791 /nfs/dbraw/zinc/61/07/91/1015610791.db2.gz KKFNTRLSIVHOHB-UHFFFAOYSA-N 1 3 345.490 3.699 20 30 EHEDHO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000160473378 1019198503 /nfs/dbraw/zinc/19/85/03/1019198503.db2.gz WEAAIFIDWAPSSG-QGZVFWFLSA-N 1 3 326.484 3.756 20 30 EHEDHO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000602606741 1033024110 /nfs/dbraw/zinc/02/41/10/1033024110.db2.gz GLHQOEOPPNCELW-BVOGOJNSSA-N 1 3 325.500 3.817 20 30 EHEDHO N#Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000120026377 1025718358 /nfs/dbraw/zinc/71/83/58/1025718358.db2.gz KKXDSIGNPJMBTJ-SFHVURJKSA-N 1 3 325.481 3.622 20 30 EHEDHO N#Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000120026377 1025718372 /nfs/dbraw/zinc/71/83/72/1025718372.db2.gz KKXDSIGNPJMBTJ-SFHVURJKSA-N 1 3 325.481 3.622 20 30 EHEDHO N#Cc1cccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000120029756 1025718779 /nfs/dbraw/zinc/71/87/79/1025718779.db2.gz IYMKLMZKKOGSBT-SFHVURJKSA-N 1 3 325.481 3.622 20 30 EHEDHO N#Cc1cccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000120029756 1025718792 /nfs/dbraw/zinc/71/87/92/1025718792.db2.gz IYMKLMZKKOGSBT-SFHVURJKSA-N 1 3 325.481 3.622 20 30 EHEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000152952871 1026824249 /nfs/dbraw/zinc/82/42/49/1026824249.db2.gz LCWKLQPOCWILGI-MRXNPFEDSA-N 1 3 332.488 3.703 20 30 EHEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000483730056 1031305309 /nfs/dbraw/zinc/30/53/09/1031305309.db2.gz PJHKRMTUOMUORC-NPHXMPSESA-N 1 3 332.491 3.784 20 30 EHEDHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372420 1033891540 /nfs/dbraw/zinc/89/15/40/1033891540.db2.gz JLUKGHSGEAKPQM-PGRDOPGGSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372420 1033891550 /nfs/dbraw/zinc/89/15/50/1033891550.db2.gz JLUKGHSGEAKPQM-PGRDOPGGSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)ccc1C#N ZINC000443986865 1036230621 /nfs/dbraw/zinc/23/06/21/1036230621.db2.gz GEIFNFMLFKYVHD-OAQYLSRUSA-N 1 3 333.479 3.521 20 30 EHEDHO C=CC[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380311 1042093421 /nfs/dbraw/zinc/09/34/21/1042093421.db2.gz FIUPNWIBQJMDOI-WOJBJXKFSA-N 1 3 332.532 3.579 20 30 EHEDHO C=CC[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380311 1042093427 /nfs/dbraw/zinc/09/34/27/1042093427.db2.gz FIUPNWIBQJMDOI-WOJBJXKFSA-N 1 3 332.532 3.579 20 30 EHEDHO CC[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093818845 1129604272 /nfs/dbraw/zinc/60/42/72/1129604272.db2.gz FPBALINNORUWCD-GOSISDBHSA-N 1 3 339.508 3.964 20 30 EHEDHO CC[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093818845 1129604273 /nfs/dbraw/zinc/60/42/73/1129604273.db2.gz FPBALINNORUWCD-GOSISDBHSA-N 1 3 339.508 3.964 20 30 EHEDHO CC[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093818844 1129604300 /nfs/dbraw/zinc/60/43/00/1129604300.db2.gz FPBALINNORUWCD-SFHVURJKSA-N 1 3 339.508 3.964 20 30 EHEDHO CC[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093818844 1129604301 /nfs/dbraw/zinc/60/43/01/1129604301.db2.gz FPBALINNORUWCD-SFHVURJKSA-N 1 3 339.508 3.964 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172308279 1137545673 /nfs/dbraw/zinc/54/56/73/1137545673.db2.gz JMHVRUWXGIOQGA-WIYYLYMNSA-N 1 3 337.511 3.900 20 30 EHEDHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682019 1139924400 /nfs/dbraw/zinc/92/44/00/1139924400.db2.gz UEZPAELBUACGMK-GHTZIAJQSA-N 1 3 333.479 3.773 20 30 EHEDHO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CN1CCCC1 ZINC000271069857 1141303325 /nfs/dbraw/zinc/30/33/25/1141303325.db2.gz LAIXEVLQXQJPGN-PELRDEGISA-N 1 3 325.500 3.712 20 30 EHEDHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000281623240 1025305187 /nfs/dbraw/zinc/30/51/87/1025305187.db2.gz HQJNLYUOZAUDGT-UHFFFAOYSA-N 1 3 337.467 3.698 20 30 EHEDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964675 1035538102 /nfs/dbraw/zinc/53/81/02/1035538102.db2.gz SJMBCSNADLFKIX-HNNXBMFYSA-N 1 3 325.431 4.000 20 30 EHEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964675 1035538122 /nfs/dbraw/zinc/53/81/22/1035538122.db2.gz SJMBCSNADLFKIX-HNNXBMFYSA-N 1 3 325.431 4.000 20 30 EHEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152480044 1036879337 /nfs/dbraw/zinc/87/93/37/1036879337.db2.gz AVOYUVHPYJMSSH-HZPDHXFCSA-N 1 3 334.891 3.953 20 30 EHEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152480044 1036879363 /nfs/dbraw/zinc/87/93/63/1036879363.db2.gz AVOYUVHPYJMSSH-HZPDHXFCSA-N 1 3 334.891 3.953 20 30 EHEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167701580 1037068993 /nfs/dbraw/zinc/06/89/93/1037068993.db2.gz PWISJLJKUDLEPH-HXUWFJFHSA-N 1 3 332.451 3.807 20 30 EHEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167701580 1037069010 /nfs/dbraw/zinc/06/90/10/1037069010.db2.gz PWISJLJKUDLEPH-HXUWFJFHSA-N 1 3 332.451 3.807 20 30 EHEDHO C=CCc1cc(CN2CCC(C[NH+](CC)CC)CC2)cc(OC)c1O ZINC000506851501 1038110959 /nfs/dbraw/zinc/11/09/59/1038110959.db2.gz ONHABLABMBNDOW-UHFFFAOYSA-N 1 3 346.515 3.683 20 30 EHEDHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919127 1040938079 /nfs/dbraw/zinc/93/80/79/1040938079.db2.gz HABLAYZWTIPTRK-GOSISDBHSA-N 1 3 337.467 3.762 20 30 EHEDHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919127 1040938102 /nfs/dbraw/zinc/93/81/02/1040938102.db2.gz HABLAYZWTIPTRK-GOSISDBHSA-N 1 3 337.467 3.762 20 30 EHEDHO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120752 1128982344 /nfs/dbraw/zinc/98/23/44/1128982344.db2.gz HBIDSQLNGJEBEX-VXKWHMMOSA-N 1 3 331.463 3.512 20 30 EHEDHO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120752 1128982347 /nfs/dbraw/zinc/98/23/47/1128982347.db2.gz HBIDSQLNGJEBEX-VXKWHMMOSA-N 1 3 331.463 3.512 20 30 EHEDHO C#CCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794827139 1137267776 /nfs/dbraw/zinc/26/77/76/1137267776.db2.gz ICLDHUZTTMJBHL-PZJWPPBQSA-N 1 3 348.490 3.871 20 30 EHEDHO C#CCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000794827139 1137267777 /nfs/dbraw/zinc/26/77/77/1137267777.db2.gz ICLDHUZTTMJBHL-PZJWPPBQSA-N 1 3 348.490 3.871 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001171228960 1137353743 /nfs/dbraw/zinc/35/37/43/1137353743.db2.gz JYSSQONMTHIZHE-QMMLZNLJSA-N 1 3 325.500 3.828 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001171228960 1137353744 /nfs/dbraw/zinc/35/37/44/1137353744.db2.gz JYSSQONMTHIZHE-QMMLZNLJSA-N 1 3 325.500 3.828 20 30 EHEDHO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000610829905 1023780251 /nfs/dbraw/zinc/78/02/51/1023780251.db2.gz RGQDWAYZWOVDRO-SJORKVTESA-N 1 3 337.467 3.910 20 30 EHEDHO C[C@H]1CC2(CN1Cc1ccc(C#N)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000595893193 1034023655 /nfs/dbraw/zinc/02/36/55/1034023655.db2.gz NDOTWNOEMGYWGC-ZDUSSCGKSA-N 1 3 337.389 3.541 20 30 EHEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000589350829 1036370810 /nfs/dbraw/zinc/37/08/10/1036370810.db2.gz HOIYFGUYJHHAAV-QHAWAJNXSA-N 1 3 325.500 3.961 20 30 EHEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000367905185 1127412617 /nfs/dbraw/zinc/41/26/17/1127412617.db2.gz VYSZDTSTATUNBH-SLFFLAALSA-N 1 3 325.500 3.817 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172300224 1137549466 /nfs/dbraw/zinc/54/94/66/1137549466.db2.gz SFIMQWWZZSQBDM-KRWDZBQOSA-N 1 3 325.500 3.733 20 30 EHEDHO C=CCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414816024 1017215705 /nfs/dbraw/zinc/21/57/05/1017215705.db2.gz YXEMZBHLOHAPLI-HNNXBMFYSA-N 1 3 326.440 3.570 20 30 EHEDHO N#Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000177699012 1018535825 /nfs/dbraw/zinc/53/58/25/1018535825.db2.gz MCBWXQKRMRHXKA-YQQQUEKLSA-N 1 3 337.492 3.905 20 30 EHEDHO COc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000135111515 1020775935 /nfs/dbraw/zinc/77/59/35/1020775935.db2.gz VNQUQJCXXOACBM-HXUWFJFHSA-N 1 3 349.478 3.521 20 30 EHEDHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000135111515 1020775943 /nfs/dbraw/zinc/77/59/43/1020775943.db2.gz VNQUQJCXXOACBM-HXUWFJFHSA-N 1 3 349.478 3.521 20 30 EHEDHO C[C@H](CCN[C@@H](C)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000602574379 1032984299 /nfs/dbraw/zinc/98/42/99/1032984299.db2.gz ZONQYPGTLCYZKA-RBUKOAKNSA-N 1 3 343.515 3.586 20 30 EHEDHO C[C@H](CCN[C@@H](C)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000602574379 1032984309 /nfs/dbraw/zinc/98/43/09/1032984309.db2.gz ZONQYPGTLCYZKA-RBUKOAKNSA-N 1 3 343.515 3.586 20 30 EHEDHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2cccc(C#N)c2)CC1 ZINC000467447580 1025638255 /nfs/dbraw/zinc/63/82/55/1025638255.db2.gz ASTJCDMMHLWZGF-LAUBAEHRSA-N 1 3 325.500 3.733 20 30 EHEDHO N#CC1(c2ccc(CNC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000594920700 1033547104 /nfs/dbraw/zinc/54/71/04/1033547104.db2.gz HHSJFNFENNTHNI-UHFFFAOYSA-N 1 3 345.490 3.996 20 30 EHEDHO N#Cc1cccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967262 1034585904 /nfs/dbraw/zinc/58/59/04/1034585904.db2.gz PNBYZTLMRSMCAP-YADHBBJMSA-N 1 3 331.463 3.512 20 30 EHEDHO N#Cc1cccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967262 1034585909 /nfs/dbraw/zinc/58/59/09/1034585909.db2.gz PNBYZTLMRSMCAP-YADHBBJMSA-N 1 3 331.463 3.512 20 30 EHEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000589350827 1036369651 /nfs/dbraw/zinc/36/96/51/1036369651.db2.gz HOIYFGUYJHHAAV-NJDAHSKKSA-N 1 3 325.500 3.961 20 30 EHEDHO C[C@@H](NCc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399006829 1036606277 /nfs/dbraw/zinc/60/62/77/1036606277.db2.gz YYHYOZLYZZDPCJ-GCJKJVERSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@@H](NCc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399006829 1036606285 /nfs/dbraw/zinc/60/62/85/1036606285.db2.gz YYHYOZLYZZDPCJ-GCJKJVERSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000399006829 1036606294 /nfs/dbraw/zinc/60/62/94/1036606294.db2.gz YYHYOZLYZZDPCJ-GCJKJVERSA-N 1 3 333.479 3.753 20 30 EHEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152479918 1036877033 /nfs/dbraw/zinc/87/70/33/1036877033.db2.gz AVOYUVHPYJMSSH-JKSUJKDBSA-N 1 3 334.891 3.953 20 30 EHEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152479918 1036877052 /nfs/dbraw/zinc/87/70/52/1036877052.db2.gz AVOYUVHPYJMSSH-JKSUJKDBSA-N 1 3 334.891 3.953 20 30 EHEDHO N#Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000311120751 1128982180 /nfs/dbraw/zinc/98/21/80/1128982180.db2.gz HBIDSQLNGJEBEX-FGZHOGPDSA-N 1 3 331.463 3.512 20 30 EHEDHO N#Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000311120751 1128982184 /nfs/dbraw/zinc/98/21/84/1128982184.db2.gz HBIDSQLNGJEBEX-FGZHOGPDSA-N 1 3 331.463 3.512 20 30 EHEDHO C=CCCCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856607175 1136799062 /nfs/dbraw/zinc/79/90/62/1136799062.db2.gz XLWJDZJSDNERBQ-HXUWFJFHSA-N 1 3 331.504 3.731 20 30 EHEDHO C=CCCCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856607175 1136799063 /nfs/dbraw/zinc/79/90/63/1136799063.db2.gz XLWJDZJSDNERBQ-HXUWFJFHSA-N 1 3 331.504 3.731 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172299585 1137549023 /nfs/dbraw/zinc/54/90/23/1137549023.db2.gz LTRODWMXTTUTPW-QGZVFWFLSA-N 1 3 325.500 3.876 20 30 EHEDHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421354096 1028299318 /nfs/dbraw/zinc/29/93/18/1028299318.db2.gz VITMZEYLGQAVOL-MRXNPFEDSA-N 1 3 339.508 3.805 20 30 EHEDHO N#Cc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000595001840 1033627403 /nfs/dbraw/zinc/62/74/03/1033627403.db2.gz ZZLOXTPCUKOBSU-JOCHJYFZSA-N 1 3 345.490 3.950 20 30 EHEDHO C[C@H]1C[C@H](NCCOc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000090107574 1043565914 /nfs/dbraw/zinc/56/59/14/1043565914.db2.gz FBQAARCGKPBKHO-GHTZIAJQSA-N 1 3 349.478 3.580 20 30 EHEDHO C[C@H]1C[C@H](NCCOc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000090107574 1043565922 /nfs/dbraw/zinc/56/59/22/1043565922.db2.gz FBQAARCGKPBKHO-GHTZIAJQSA-N 1 3 349.478 3.580 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001171193795 1137302127 /nfs/dbraw/zinc/30/21/27/1137302127.db2.gz CDMUZFONUCPFCT-KRWDZBQOSA-N 1 3 325.500 3.876 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001171193795 1137302128 /nfs/dbraw/zinc/30/21/28/1137302128.db2.gz CDMUZFONUCPFCT-KRWDZBQOSA-N 1 3 325.500 3.876 20 30 EHEDHO C=CCN1CCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171976306 1137525578 /nfs/dbraw/zinc/52/55/78/1137525578.db2.gz QZTZBXHFECYGPA-SFTDATJTSA-N 1 3 341.543 3.670 20 30 EHEDHO CCN(Cc1ccnn1-c1ccncc1)[C@H](C)c1ccc(C#N)cc1 ZINC000596983859 1034482011 /nfs/dbraw/zinc/48/20/11/1034482011.db2.gz HRTUMKDIRUGVLG-MRXNPFEDSA-N 1 3 331.423 3.722 20 30 EHEDHO CC[N@H+](Cc1ccnn1-c1ccncc1)[C@H](C)c1ccc(C#N)cc1 ZINC000596983859 1034482013 /nfs/dbraw/zinc/48/20/13/1034482013.db2.gz HRTUMKDIRUGVLG-MRXNPFEDSA-N 1 3 331.423 3.722 20 30 EHEDHO CC[N@@H+](Cc1ccnn1-c1ccncc1)[C@H](C)c1ccc(C#N)cc1 ZINC000596983859 1034482020 /nfs/dbraw/zinc/48/20/20/1034482020.db2.gz HRTUMKDIRUGVLG-MRXNPFEDSA-N 1 3 331.423 3.722 20 30 EHEDHO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967261 1034585997 /nfs/dbraw/zinc/58/59/97/1034585997.db2.gz PNBYZTLMRSMCAP-VXKWHMMOSA-N 1 3 331.463 3.512 20 30 EHEDHO N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967261 1034586004 /nfs/dbraw/zinc/58/60/04/1034586004.db2.gz PNBYZTLMRSMCAP-VXKWHMMOSA-N 1 3 331.463 3.512 20 30 EHEDHO C[C@H](NCc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399006828 1036607207 /nfs/dbraw/zinc/60/72/07/1036607207.db2.gz YYHYOZLYZZDPCJ-AVRDEDQJSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@H](NCc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399006828 1036607215 /nfs/dbraw/zinc/60/72/15/1036607215.db2.gz YYHYOZLYZZDPCJ-AVRDEDQJSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000399006828 1036607222 /nfs/dbraw/zinc/60/72/22/1036607222.db2.gz YYHYOZLYZZDPCJ-AVRDEDQJSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919113 1040936890 /nfs/dbraw/zinc/93/68/90/1040936890.db2.gz HABLAYZWTIPTRK-SFHVURJKSA-N 1 3 337.467 3.762 20 30 EHEDHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919113 1040936909 /nfs/dbraw/zinc/93/69/09/1040936909.db2.gz HABLAYZWTIPTRK-SFHVURJKSA-N 1 3 337.467 3.762 20 30 EHEDHO CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(C[NH+](C)C)c2)c([O-])c1 ZINC000914702171 1120956145 /nfs/dbraw/zinc/95/61/45/1120956145.db2.gz YEPREHBEYHIJET-JCMHNJIXSA-N 1 3 339.483 3.919 20 30 EHEDHO CN(C/C=C\C[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000255895765 1129221231 /nfs/dbraw/zinc/22/12/31/1129221231.db2.gz DQGPUXHGPSDFHN-ARJAWSKDSA-N 1 3 344.462 3.550 20 30 EHEDHO CN(C/C=C\C[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000255895765 1129221233 /nfs/dbraw/zinc/22/12/33/1129221233.db2.gz DQGPUXHGPSDFHN-ARJAWSKDSA-N 1 3 344.462 3.550 20 30 EHEDHO N#Cc1cnc(Cl)c(CNCCCCCCC[NH+]2CCCC2)c1 ZINC000877019465 1137667818 /nfs/dbraw/zinc/66/78/18/1137667818.db2.gz MTBGUXRLEKJWFE-UHFFFAOYSA-N 1 3 334.895 3.743 20 30 EHEDHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681895 1139924291 /nfs/dbraw/zinc/92/42/91/1139924291.db2.gz JMMOFUKJOLXCPA-RXVVDRJESA-N 1 3 333.479 3.773 20 30 EHEDHO CN(c1ccccc1C=NOC1CCCCC1)C1CC[NH+](C)CC1 ZINC000777460687 1140407390 /nfs/dbraw/zinc/40/73/90/1140407390.db2.gz ZXPMPORHWRRAOU-UHFFFAOYSA-N 1 3 329.488 3.900 20 30 EHEDHO N#CC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000602608281 1033023811 /nfs/dbraw/zinc/02/38/11/1033023811.db2.gz LSOOBGWAHOCVQD-KPUASWNJSA-N 1 3 337.511 3.959 20 30 EHEDHO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000610829923 1023779791 /nfs/dbraw/zinc/77/97/91/1023779791.db2.gz SANASUFYPGJVOG-IAGOWNOFSA-N 1 3 337.467 3.910 20 30 EHEDHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000278152209 1029363047 /nfs/dbraw/zinc/36/30/47/1029363047.db2.gz AERBCPIYSZUXNQ-WMQCIHAUSA-N 1 3 343.515 3.736 20 30 EHEDHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000278152209 1029363061 /nfs/dbraw/zinc/36/30/61/1029363061.db2.gz AERBCPIYSZUXNQ-WMQCIHAUSA-N 1 3 343.515 3.736 20 30 EHEDHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000599304096 1033854191 /nfs/dbraw/zinc/85/41/91/1033854191.db2.gz WIRMPVFUFXDIGL-NRFANRHFSA-N 1 3 333.479 3.821 20 30 EHEDHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000599304096 1033854204 /nfs/dbraw/zinc/85/42/04/1033854204.db2.gz WIRMPVFUFXDIGL-NRFANRHFSA-N 1 3 333.479 3.821 20 30 EHEDHO C[C@@H]1CN(CC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000375943682 1034981255 /nfs/dbraw/zinc/98/12/55/1034981255.db2.gz WMQBDTPQMDCNOI-QZTJIDSGSA-N 1 3 335.536 3.528 20 30 EHEDHO C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000610829903 1037239772 /nfs/dbraw/zinc/23/97/72/1037239772.db2.gz RGQDWAYZWOVDRO-IAGOWNOFSA-N 1 3 337.467 3.910 20 30 EHEDHO CC[NH+]1CCC(NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766111830 1130326158 /nfs/dbraw/zinc/32/61/58/1130326158.db2.gz GLLVBCFFQWDTKB-UHFFFAOYSA-N 1 3 325.481 3.861 20 30 EHEDHO N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000774128672 1133619176 /nfs/dbraw/zinc/61/91/76/1133619176.db2.gz CIDFHKRHVSGFMN-KOUNCHBCSA-N 1 3 331.463 3.843 20 30 EHEDHO N#CC1(c2ccccc2)CCC(N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001170375939 1134766406 /nfs/dbraw/zinc/76/64/06/1134766406.db2.gz IKYJQZPTZKEUNW-UHFFFAOYSA-N 1 3 346.478 3.608 20 30 EHEDHO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171976305 1137525132 /nfs/dbraw/zinc/52/51/32/1137525132.db2.gz QZTZBXHFECYGPA-RTWAWAEBSA-N 1 3 341.543 3.670 20 30 EHEDHO N#Cc1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172068349 1137534311 /nfs/dbraw/zinc/53/43/11/1137534311.db2.gz VNABQGQXIZTYFM-DKUWSORSSA-N 1 3 346.478 3.629 20 30 EHEDHO CN(C/C=C/C[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000052580719 1138046040 /nfs/dbraw/zinc/04/60/40/1138046040.db2.gz DQGPUXHGPSDFHN-ONEGZZNKSA-N 1 3 344.462 3.550 20 30 EHEDHO CN(C/C=C/C[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000052580719 1138046041 /nfs/dbraw/zinc/04/60/41/1138046041.db2.gz DQGPUXHGPSDFHN-ONEGZZNKSA-N 1 3 344.462 3.550 20 30 EHEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886605092 1138100940 /nfs/dbraw/zinc/10/09/40/1138100940.db2.gz JKWNIWDTYNXRAF-CUUWFGFTSA-N 1 3 340.511 3.610 20 30 EHEDHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681932 1139924322 /nfs/dbraw/zinc/92/43/22/1139924322.db2.gz JMMOFUKJOLXCPA-GHTZIAJQSA-N 1 3 333.479 3.773 20 30 EHEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000349001750 1141620714 /nfs/dbraw/zinc/62/07/14/1141620714.db2.gz HTKXAJZJWVZCJX-UHFFFAOYSA-N 1 3 337.467 3.651 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274819249 1015429998 /nfs/dbraw/zinc/42/99/98/1015429998.db2.gz BIDOGDPMALNOLV-PZJWPPBQSA-N 1 3 341.543 3.527 20 30 EHEDHO N#CCc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000398984915 1024747196 /nfs/dbraw/zinc/74/71/96/1024747196.db2.gz GMEYDMVDMWDAFX-YTFSRNRJSA-N 1 3 345.490 3.753 20 30 EHEDHO N#CCc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000398984915 1024747207 /nfs/dbraw/zinc/74/72/07/1024747207.db2.gz GMEYDMVDMWDAFX-YTFSRNRJSA-N 1 3 345.490 3.753 20 30 EHEDHO CC(CCN(C)[C@@H]1CCC[C@@H]1C#N)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982713 1033285286 /nfs/dbraw/zinc/28/52/86/1033285286.db2.gz XENCSWUWPUNHIX-UAFMIMERSA-N 1 3 330.520 3.651 20 30 EHEDHO CC(CCN(C)[C@@H]1CCC[C@@H]1C#N)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982713 1033285299 /nfs/dbraw/zinc/28/52/99/1033285299.db2.gz XENCSWUWPUNHIX-UAFMIMERSA-N 1 3 330.520 3.651 20 30 EHEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000424323469 1028970912 /nfs/dbraw/zinc/97/09/12/1028970912.db2.gz JEFRZBUOYHQPPG-LXHROKJGSA-N 1 3 337.511 3.959 20 30 EHEDHO C[C@@H]1CN(CCC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000177500176 1031548828 /nfs/dbraw/zinc/54/88/28/1031548828.db2.gz YAGUGCNMZVEONH-QZTJIDSGSA-N 1 3 335.536 3.528 20 30 EHEDHO N#CC1(c2ccc(CNCCC[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000594914006 1033542325 /nfs/dbraw/zinc/54/23/25/1033542325.db2.gz AVGOZNLDFZUPAF-UHFFFAOYSA-N 1 3 345.490 3.780 20 30 EHEDHO N#CC1(c2ccc(CNCCC[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000594914006 1033542327 /nfs/dbraw/zinc/54/23/27/1033542327.db2.gz AVGOZNLDFZUPAF-UHFFFAOYSA-N 1 3 345.490 3.780 20 30 EHEDHO C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000610829904 1037240412 /nfs/dbraw/zinc/24/04/12/1037240412.db2.gz RGQDWAYZWOVDRO-IRXDYDNUSA-N 1 3 337.467 3.910 20 30 EHEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000367905184 1127412573 /nfs/dbraw/zinc/41/25/73/1127412573.db2.gz VYSZDTSTATUNBH-HSALFYBXSA-N 1 3 325.500 3.817 20 30 EHEDHO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000403980963 1128672816 /nfs/dbraw/zinc/67/28/16/1128672816.db2.gz ATZPCTAHLPPODR-JXFKEZNVSA-N 1 3 337.442 3.698 20 30 EHEDHO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309763649 1128914444 /nfs/dbraw/zinc/91/44/44/1128914444.db2.gz FKZRAMJGUSZVBB-QAPCUYQASA-N 1 3 325.481 3.620 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172299581 1137549165 /nfs/dbraw/zinc/54/91/65/1137549165.db2.gz LTRODWMXTTUTPW-KRWDZBQOSA-N 1 3 325.500 3.876 20 30 EHEDHO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000154325430 1015366932 /nfs/dbraw/zinc/36/69/32/1015366932.db2.gz XCSPMEOKGHEQHM-DLBZAZTESA-N 1 3 337.467 3.910 20 30 EHEDHO CC[N@H+](CCC1CCN(Cc2cc(C#N)cs2)CC1)CC1CC1 ZINC000538858509 1024551202 /nfs/dbraw/zinc/55/12/02/1024551202.db2.gz ZSIJPGDGYGLWRK-UHFFFAOYSA-N 1 3 331.529 3.954 20 30 EHEDHO CC[N@@H+](CCC1CCN(Cc2cc(C#N)cs2)CC1)CC1CC1 ZINC000538858509 1024551206 /nfs/dbraw/zinc/55/12/06/1024551206.db2.gz ZSIJPGDGYGLWRK-UHFFFAOYSA-N 1 3 331.529 3.954 20 30 EHEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000424323467 1028971820 /nfs/dbraw/zinc/97/18/20/1028971820.db2.gz JEFRZBUOYHQPPG-LLVBAIKDSA-N 1 3 337.511 3.959 20 30 EHEDHO CC[NH+](CC)CCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000061051712 1033510036 /nfs/dbraw/zinc/51/00/36/1033510036.db2.gz JUNSGKXBSZQPIX-UHFFFAOYSA-N 1 3 337.467 3.569 20 30 EHEDHO C[N@H+](CCCNCc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1 ZINC000594917809 1033543643 /nfs/dbraw/zinc/54/36/43/1033543643.db2.gz KOBSBQQGCFKGKM-UHFFFAOYSA-N 1 3 333.479 3.853 20 30 EHEDHO C[N@@H+](CCCNCc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1 ZINC000594917809 1033543659 /nfs/dbraw/zinc/54/36/59/1033543659.db2.gz KOBSBQQGCFKGKM-UHFFFAOYSA-N 1 3 333.479 3.853 20 30 EHEDHO C[C@@H](C#N)Oc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000171562965 1034461643 /nfs/dbraw/zinc/46/16/43/1034461643.db2.gz PGZMSXHIQRBDAZ-SFHVURJKSA-N 1 3 349.478 3.863 20 30 EHEDHO Cc1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1C#N ZINC000443978750 1036151067 /nfs/dbraw/zinc/15/10/67/1036151067.db2.gz LQJDVLYVTODQIX-SFHVURJKSA-N 1 3 339.508 3.930 20 30 EHEDHO Cc1cc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1C#N ZINC000443978750 1036151075 /nfs/dbraw/zinc/15/10/75/1036151075.db2.gz LQJDVLYVTODQIX-SFHVURJKSA-N 1 3 339.508 3.930 20 30 EHEDHO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000589350826 1036370119 /nfs/dbraw/zinc/37/01/19/1036370119.db2.gz HOIYFGUYJHHAAV-HKBOAZHASA-N 1 3 325.500 3.961 20 30 EHEDHO C[C@@H](NCc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399006831 1036605941 /nfs/dbraw/zinc/60/59/41/1036605941.db2.gz YYHYOZLYZZDPCJ-XMSQKQJNSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@@H](NCc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399006831 1036605952 /nfs/dbraw/zinc/60/59/52/1036605952.db2.gz YYHYOZLYZZDPCJ-XMSQKQJNSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000399006831 1036605969 /nfs/dbraw/zinc/60/59/69/1036605969.db2.gz YYHYOZLYZZDPCJ-XMSQKQJNSA-N 1 3 333.479 3.753 20 30 EHEDHO CC(C)(C#N)CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000539568771 1036930871 /nfs/dbraw/zinc/93/08/71/1036930871.db2.gz FKAONWTYDAPSSH-UXHICEINSA-N 1 3 325.500 3.913 20 30 EHEDHO CC(C)(C#N)CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000539568771 1036930887 /nfs/dbraw/zinc/93/08/87/1036930887.db2.gz FKAONWTYDAPSSH-UXHICEINSA-N 1 3 325.500 3.913 20 30 EHEDHO C[N@@H+]1CCC[C@@H](CNCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000252466305 1128827740 /nfs/dbraw/zinc/82/77/40/1128827740.db2.gz WEJXFFPUGALSEE-HKUYNNGSSA-N 1 3 325.481 3.792 20 30 EHEDHO C[N@H+]1CCC[C@@H](CNCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000252466305 1128827745 /nfs/dbraw/zinc/82/77/45/1128827745.db2.gz WEJXFFPUGALSEE-HKUYNNGSSA-N 1 3 325.481 3.792 20 30 EHEDHO Cc1noc(C)c1CN1CCCC12CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172495603 1131758905 /nfs/dbraw/zinc/75/89/05/1131758905.db2.gz GLHUYIDTUKHWTL-MRXNPFEDSA-N 1 3 344.503 3.804 20 30 EHEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(N2CCCc3ccc(CN)nc32)cc1 ZINC001169592040 1132791054 /nfs/dbraw/zinc/79/10/54/1132791054.db2.gz UEALYNUIBPXOOJ-OAQYLSRUSA-N 1 3 348.494 3.948 20 30 EHEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCc3ccc(CN)nc32)cc1 ZINC001169592040 1132791059 /nfs/dbraw/zinc/79/10/59/1132791059.db2.gz UEALYNUIBPXOOJ-OAQYLSRUSA-N 1 3 348.494 3.948 20 30 EHEDHO C#CCSCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775409197 1134743641 /nfs/dbraw/zinc/74/36/41/1134743641.db2.gz DAVGEKOWGKBWDS-KRWDZBQOSA-N 1 3 346.540 3.698 20 30 EHEDHO C#CCOc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000113315475 1136694237 /nfs/dbraw/zinc/69/42/37/1136694237.db2.gz NJDAUOSMEIFLOF-UHFFFAOYSA-N 1 3 334.463 3.584 20 30 EHEDHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 ZINC000866617120 1137369933 /nfs/dbraw/zinc/36/99/33/1137369933.db2.gz FMGFDRYTPZXWLC-HVETUWLQSA-N 1 3 337.511 3.658 20 30 EHEDHO N#C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000442777935 1025469284 /nfs/dbraw/zinc/46/92/84/1025469284.db2.gz GOIHQTIUQICYDT-WMZOPIPTSA-N 1 3 331.891 3.834 20 30 EHEDHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131829 1032044646 /nfs/dbraw/zinc/04/46/46/1032044646.db2.gz KUPMIQJIWXWPGZ-ICSRJNTNSA-N 1 3 349.478 3.762 20 30 EHEDHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131829 1032044663 /nfs/dbraw/zinc/04/46/63/1032044663.db2.gz KUPMIQJIWXWPGZ-ICSRJNTNSA-N 1 3 349.478 3.762 20 30 EHEDHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000595065272 1033642205 /nfs/dbraw/zinc/64/22/05/1033642205.db2.gz CEUGLOKYTUHHQF-JOCHJYFZSA-N 1 3 348.494 3.906 20 30 EHEDHO CN(CCc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595334129 1033732543 /nfs/dbraw/zinc/73/25/43/1033732543.db2.gz MKOPDGAZGPVJQD-JOCHJYFZSA-N 1 3 333.479 3.555 20 30 EHEDHO CN(CCc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595334129 1033732553 /nfs/dbraw/zinc/73/25/53/1033732553.db2.gz MKOPDGAZGPVJQD-JOCHJYFZSA-N 1 3 333.479 3.555 20 30 EHEDHO CC[NH+](CC)Cc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000174278718 1033893031 /nfs/dbraw/zinc/89/30/31/1033893031.db2.gz IILYAZDUHMFFQW-UHFFFAOYSA-N 1 3 337.467 3.698 20 30 EHEDHO N#CC1(c2ccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000597031154 1034506671 /nfs/dbraw/zinc/50/66/71/1034506671.db2.gz VQHPRYUGBGNDQY-RXVVDRJESA-N 1 3 335.495 3.690 20 30 EHEDHO N#CC1(c2ccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000597031154 1034506684 /nfs/dbraw/zinc/50/66/84/1034506684.db2.gz VQHPRYUGBGNDQY-RXVVDRJESA-N 1 3 335.495 3.690 20 30 EHEDHO N#Cc1ccccc1OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000060468635 1034572255 /nfs/dbraw/zinc/57/22/55/1034572255.db2.gz FIDGFYSSZCBKCH-UHFFFAOYSA-N 1 3 341.499 3.525 20 30 EHEDHO N#CCc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000398997748 1036607547 /nfs/dbraw/zinc/60/75/47/1036607547.db2.gz QQECZSSPIGDBPY-XZOQPEGZSA-N 1 3 345.490 3.707 20 30 EHEDHO N#CCc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000398997748 1036607556 /nfs/dbraw/zinc/60/75/56/1036607556.db2.gz QQECZSSPIGDBPY-XZOQPEGZSA-N 1 3 345.490 3.707 20 30 EHEDHO C=C(C)COCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183338510 1125530014 /nfs/dbraw/zinc/53/00/14/1125530014.db2.gz DOINQAWBEDWXSG-SFHVURJKSA-N 1 3 346.515 3.924 20 30 EHEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000356131666 1034732966 /nfs/dbraw/zinc/73/29/66/1034732966.db2.gz GHNIKYRYPTWZCV-BBRMVZONSA-N 1 3 339.405 3.882 20 30 EHEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000356131666 1034732981 /nfs/dbraw/zinc/73/29/81/1034732981.db2.gz GHNIKYRYPTWZCV-BBRMVZONSA-N 1 3 339.405 3.882 20 30 EHEDHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488266318 1039022341 /nfs/dbraw/zinc/02/23/41/1039022341.db2.gz SFCCRWUUHWCMIJ-PGRDOPGGSA-N 1 3 333.479 3.867 20 30 EHEDHO CC(C)(C#N)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000614176171 1040377165 /nfs/dbraw/zinc/37/71/65/1040377165.db2.gz OKJDVJQWNUGGSD-NQIIRXRSSA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(C#N)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000614176171 1040377180 /nfs/dbraw/zinc/37/71/80/1040377180.db2.gz OKJDVJQWNUGGSD-NQIIRXRSSA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000367905187 1127412441 /nfs/dbraw/zinc/41/24/41/1127412441.db2.gz VYSZDTSTATUNBH-XUVXKRRUSA-N 1 3 325.500 3.817 20 30 EHEDHO CN(C)/C=N/c1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1C#N ZINC001170451399 1135073251 /nfs/dbraw/zinc/07/32/51/1135073251.db2.gz LSCIGAKGFUNCQJ-HYARGMPZSA-N 1 3 341.503 3.843 20 30 EHEDHO C[C@@]1(C#N)CCN(CCCCCCCC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852686112 1136477897 /nfs/dbraw/zinc/47/78/97/1136477897.db2.gz FYTZAHVJTFGPFM-PMACEKPBSA-N 1 3 330.520 3.798 20 30 EHEDHO C[C@@]1(C#N)CCN(CCCCCCCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852686112 1136477899 /nfs/dbraw/zinc/47/78/99/1136477899.db2.gz FYTZAHVJTFGPFM-PMACEKPBSA-N 1 3 330.520 3.798 20 30 EHEDHO C=CCCCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856607174 1136799158 /nfs/dbraw/zinc/79/91/58/1136799158.db2.gz XLWJDZJSDNERBQ-FQEVSTJZSA-N 1 3 331.504 3.731 20 30 EHEDHO C=CCCCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856607174 1136799160 /nfs/dbraw/zinc/79/91/60/1136799160.db2.gz XLWJDZJSDNERBQ-FQEVSTJZSA-N 1 3 331.504 3.731 20 30 EHEDHO CCN(CC)c1ccc(/C=[NH+]/C2CC([NH+]3CCCCC3)C2)c([O-])c1 ZINC000794849300 1137296951 /nfs/dbraw/zinc/29/69/51/1137296951.db2.gz WFLASUKRHHTFDL-RCCKNPSSSA-N 1 3 329.488 3.674 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172299664 1137549049 /nfs/dbraw/zinc/54/90/49/1137549049.db2.gz MPAVIKFLIIOGCP-GOSISDBHSA-N 1 3 333.479 3.525 20 30 EHEDHO CCCN1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271077738 1141305497 /nfs/dbraw/zinc/30/54/97/1141305497.db2.gz PKAFBDAVMKWHDN-PELRDEGISA-N 1 3 325.500 3.712 20 30 EHEDHO N#CC1(c2ccccc2)CCC([NH2+]CC[C@H](N)Cc2ccccc2)CC1 ZINC000602023005 1032593360 /nfs/dbraw/zinc/59/33/60/1032593360.db2.gz VQPXHASTYKADAT-UVKLAMSESA-N 1 3 347.506 3.940 20 30 EHEDHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152207 1029363762 /nfs/dbraw/zinc/36/37/62/1029363762.db2.gz AERBCPIYSZUXNQ-UIFIKXQLSA-N 1 3 343.515 3.736 20 30 EHEDHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152207 1029363773 /nfs/dbraw/zinc/36/37/73/1029363773.db2.gz AERBCPIYSZUXNQ-UIFIKXQLSA-N 1 3 343.515 3.736 20 30 EHEDHO C#C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000491737320 1037647031 /nfs/dbraw/zinc/64/70/31/1037647031.db2.gz BMYUDUBJIAOFEG-LJQANCHMSA-N 1 3 325.843 3.668 20 30 EHEDHO C#CCOc1ccc(CNCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000236920386 1040177538 /nfs/dbraw/zinc/17/75/38/1040177538.db2.gz LCPIPDLBSWGTNO-UHFFFAOYSA-N 1 3 336.479 3.830 20 30 EHEDHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290937 1044555776 /nfs/dbraw/zinc/55/57/76/1044555776.db2.gz BLVPWJCTSNCNRF-HSZRJFAPSA-N 1 3 345.490 3.965 20 30 EHEDHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290937 1044555789 /nfs/dbraw/zinc/55/57/89/1044555789.db2.gz BLVPWJCTSNCNRF-HSZRJFAPSA-N 1 3 345.490 3.965 20 30 EHEDHO C[N@@H+]1CCC[C@H](CNCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000174460303 1130359461 /nfs/dbraw/zinc/35/94/61/1130359461.db2.gz VHIMSXOBLMBCPN-IEBWSBKVSA-N 1 3 325.481 3.792 20 30 EHEDHO C[N@H+]1CCC[C@H](CNCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000174460303 1130359465 /nfs/dbraw/zinc/35/94/65/1130359465.db2.gz VHIMSXOBLMBCPN-IEBWSBKVSA-N 1 3 325.481 3.792 20 30 EHEDHO N#CCC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC001173327682 1132048431 /nfs/dbraw/zinc/04/84/31/1132048431.db2.gz FNZYRHATDNWRGN-KPUASWNJSA-N 1 3 337.511 3.959 20 30 EHEDHO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc(N(C)CCC#N)cc1 ZINC000824559828 1137142914 /nfs/dbraw/zinc/14/29/14/1137142914.db2.gz ZWLSILIDGHFBMR-FQEVSTJZSA-N 1 3 342.531 3.637 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001171204313 1137324781 /nfs/dbraw/zinc/32/47/81/1137324781.db2.gz VMTNSJHESMCSIF-RBUKOAKNSA-N 1 3 337.511 3.900 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001171204313 1137324782 /nfs/dbraw/zinc/32/47/82/1137324782.db2.gz VMTNSJHESMCSIF-RBUKOAKNSA-N 1 3 337.511 3.900 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001171228963 1137353710 /nfs/dbraw/zinc/35/37/10/1137353710.db2.gz JYSSQONMTHIZHE-YYWHXJBOSA-N 1 3 325.500 3.828 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001171228963 1137353712 /nfs/dbraw/zinc/35/37/12/1137353712.db2.gz JYSSQONMTHIZHE-YYWHXJBOSA-N 1 3 325.500 3.828 20 30 EHEDHO CC(C)(C#N)c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134917836 1138712787 /nfs/dbraw/zinc/71/27/87/1138712787.db2.gz KXQACTLRRDQESH-WIYYLYMNSA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(C#N)c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134917836 1138712790 /nfs/dbraw/zinc/71/27/90/1138712790.db2.gz KXQACTLRRDQESH-WIYYLYMNSA-N 1 3 337.511 3.936 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268917395 1141024984 /nfs/dbraw/zinc/02/49/84/1141024984.db2.gz VMWZFXFQKGFNBT-DENIHFKCSA-N 1 3 341.543 3.670 20 30 EHEDHO N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000176967654 1017544636 /nfs/dbraw/zinc/54/46/36/1017544636.db2.gz ARXZQBZGOCSOGP-AYHJJNSGSA-N 1 3 337.492 3.905 20 30 EHEDHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000592403596 1032799101 /nfs/dbraw/zinc/79/91/01/1032799101.db2.gz PRSGVDWFRCJEGQ-CVAIRZPRSA-N 1 3 337.442 3.693 20 30 EHEDHO C=CCC1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOCC1 ZINC000895260021 1024138982 /nfs/dbraw/zinc/13/89/82/1024138982.db2.gz NQFLJAZZSZGVQC-HBMCJLEFSA-N 1 3 340.511 3.754 20 30 EHEDHO COc1cc(C#N)ccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000347288945 1025834907 /nfs/dbraw/zinc/83/49/07/1025834907.db2.gz ZPNHNMWIWKVFID-UHFFFAOYSA-N 1 3 341.499 3.655 20 30 EHEDHO N#CCCCOc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134204800 1028102274 /nfs/dbraw/zinc/10/22/74/1028102274.db2.gz KFHBZNIIXOBASZ-UHFFFAOYSA-N 1 3 341.499 3.677 20 30 EHEDHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372418 1033891857 /nfs/dbraw/zinc/89/18/57/1033891857.db2.gz JLUKGHSGEAKPQM-AVRDEDQJSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372418 1033891872 /nfs/dbraw/zinc/89/18/72/1033891872.db2.gz JLUKGHSGEAKPQM-AVRDEDQJSA-N 1 3 333.479 3.867 20 30 EHEDHO C[C@H]1C[C@H](NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000399043146 1036606755 /nfs/dbraw/zinc/60/67/55/1036606755.db2.gz SGUVXHPWVIAZBT-PGRDOPGGSA-N 1 3 333.479 3.895 20 30 EHEDHO C[C@H]1C[C@H](NCc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399043146 1036606766 /nfs/dbraw/zinc/60/67/66/1036606766.db2.gz SGUVXHPWVIAZBT-PGRDOPGGSA-N 1 3 333.479 3.895 20 30 EHEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152479707 1036873943 /nfs/dbraw/zinc/87/39/43/1036873943.db2.gz AVOYUVHPYJMSSH-HOTGVXAUSA-N 1 3 334.891 3.953 20 30 EHEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152479707 1036873957 /nfs/dbraw/zinc/87/39/57/1036873957.db2.gz AVOYUVHPYJMSSH-HOTGVXAUSA-N 1 3 334.891 3.953 20 30 EHEDHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000171130604 1037478311 /nfs/dbraw/zinc/47/83/11/1037478311.db2.gz FFOKGUIXELJPCY-KRWDZBQOSA-N 1 3 337.467 3.740 20 30 EHEDHO C#Cc1ccc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001177982012 1133126201 /nfs/dbraw/zinc/12/62/01/1133126201.db2.gz ZJBMJWHJFIXZEP-RTBURBONSA-N 1 3 332.491 3.914 20 30 EHEDHO C[C@]1(C#N)CCN(CCCCCCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686113 1136477910 /nfs/dbraw/zinc/47/79/10/1136477910.db2.gz FYTZAHVJTFGPFM-WOJBJXKFSA-N 1 3 330.520 3.798 20 30 EHEDHO C[C@]1(C#N)CCN(CCCCCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686113 1136477912 /nfs/dbraw/zinc/47/79/12/1136477912.db2.gz FYTZAHVJTFGPFM-WOJBJXKFSA-N 1 3 330.520 3.798 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001171222117 1137348316 /nfs/dbraw/zinc/34/83/16/1137348316.db2.gz DXXHDZMWJNPPRZ-LEOXJPRUSA-N 1 3 345.490 3.553 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001171228953 1137353525 /nfs/dbraw/zinc/35/35/25/1137353525.db2.gz JYSSQONMTHIZHE-DZFGPLHGSA-N 1 3 325.500 3.828 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001171228953 1137353527 /nfs/dbraw/zinc/35/35/27/1137353527.db2.gz JYSSQONMTHIZHE-DZFGPLHGSA-N 1 3 325.500 3.828 20 30 EHEDHO CC1CC[NH+](C2CCC(NCc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000877113639 1137670357 /nfs/dbraw/zinc/67/03/57/1137670357.db2.gz MYXUIXAJBZSFDF-UHFFFAOYSA-N 1 3 346.906 3.739 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268843432 1141005183 /nfs/dbraw/zinc/00/51/83/1141005183.db2.gz DEWPLMPRSKJUOV-SIKLNZKXSA-N 1 3 341.543 3.527 20 30 EHEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271065759 1141303673 /nfs/dbraw/zinc/30/36/73/1141303673.db2.gz JCOFRNGHZROXTF-RKDVLTNBSA-N 1 3 325.500 3.853 20 30 EHEDHO C[C@H](CC1(C#N)CCOCC1)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000602574380 1032983779 /nfs/dbraw/zinc/98/37/79/1032983779.db2.gz ZONQYPGTLCYZKA-RTBURBONSA-N 1 3 343.515 3.586 20 30 EHEDHO C[C@H](CC1(C#N)CCOCC1)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602574380 1032983792 /nfs/dbraw/zinc/98/37/92/1032983792.db2.gz ZONQYPGTLCYZKA-RTBURBONSA-N 1 3 343.515 3.586 20 30 EHEDHO C[C@H]1CN(CCC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000177500161 1031549073 /nfs/dbraw/zinc/54/90/73/1031549073.db2.gz YAGUGCNMZVEONH-ROUUACIJSA-N 1 3 335.536 3.528 20 30 EHEDHO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775419977 1134763467 /nfs/dbraw/zinc/76/34/67/1134763467.db2.gz FCFVOBUVNDAGTD-MSOLQXFVSA-N 1 3 346.515 3.516 20 30 EHEDHO C#Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc1 ZINC001144572206 1137311638 /nfs/dbraw/zinc/31/16/38/1137311638.db2.gz UBSUURVSRXCLAN-UHFFFAOYSA-N 1 3 334.463 3.749 20 30 EHEDHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617375 1137369918 /nfs/dbraw/zinc/36/99/18/1137369918.db2.gz IBSQGRZYWDYZLN-HVETUWLQSA-N 1 3 337.511 3.658 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172318936 1137546897 /nfs/dbraw/zinc/54/68/97/1137546897.db2.gz JNRJKMRBZAUDJJ-LEOXJPRUSA-N 1 3 345.490 3.553 20 30 EHEDHO CC[NH+](CC)CCOc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177686135 1018464587 /nfs/dbraw/zinc/46/45/87/1018464587.db2.gz LZPKJGQHBXBNSD-UHFFFAOYSA-N 1 3 343.496 3.630 20 30 EHEDHO N#C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000442777928 1025468871 /nfs/dbraw/zinc/46/88/71/1025468871.db2.gz GOIHQTIUQICYDT-FUHWJXTLSA-N 1 3 331.891 3.834 20 30 EHEDHO N#CC1(c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000597031149 1034505075 /nfs/dbraw/zinc/50/50/75/1034505075.db2.gz VQHPRYUGBGNDQY-GHTZIAJQSA-N 1 3 335.495 3.690 20 30 EHEDHO N#CC1(c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000597031149 1034505081 /nfs/dbraw/zinc/50/50/81/1034505081.db2.gz VQHPRYUGBGNDQY-GHTZIAJQSA-N 1 3 335.495 3.690 20 30 EHEDHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000539495699 1036829751 /nfs/dbraw/zinc/82/97/51/1036829751.db2.gz BPGNKPDXKNDCPA-GOSISDBHSA-N 1 3 349.478 3.884 20 30 EHEDHO CC[NH+](CC)CCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000069708609 1129475871 /nfs/dbraw/zinc/47/58/71/1129475871.db2.gz FYPOVAITYGMTNR-UHFFFAOYSA-N 1 3 337.467 3.569 20 30 EHEDHO CCN(CC)c1ccc(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c([O-])c1 ZINC000772156074 1133653046 /nfs/dbraw/zinc/65/30/46/1133653046.db2.gz UYFDMWATJPPHPL-RCCKNPSSSA-N 1 3 329.488 3.532 20 30 EHEDHO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775419979 1134764729 /nfs/dbraw/zinc/76/47/29/1134764729.db2.gz FCFVOBUVNDAGTD-QZTJIDSGSA-N 1 3 346.515 3.516 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001171222118 1137348222 /nfs/dbraw/zinc/34/82/22/1137348222.db2.gz DXXHDZMWJNPPRZ-OFAXGOBFSA-N 1 3 345.490 3.553 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001171222118 1137348224 /nfs/dbraw/zinc/34/82/24/1137348224.db2.gz DXXHDZMWJNPPRZ-OFAXGOBFSA-N 1 3 345.490 3.553 20 30 EHEDHO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886610878 1138101717 /nfs/dbraw/zinc/10/17/17/1138101717.db2.gz MOKCBHGOYJQKFK-UFYCRDLUSA-N 1 3 325.500 3.959 20 30 EHEDHO CC(C)(C)N1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000177822614 1020051078 /nfs/dbraw/zinc/05/10/78/1020051078.db2.gz PCXJJCDWHMJPRY-UHFFFAOYSA-N 1 3 331.529 3.644 20 30 EHEDHO CC(C)(C)[NH+]1CCC(NCCSCc2ccccc2C#N)CC1 ZINC000177822614 1020051084 /nfs/dbraw/zinc/05/10/84/1020051084.db2.gz PCXJJCDWHMJPRY-UHFFFAOYSA-N 1 3 331.529 3.644 20 30 EHEDHO N#Cc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685170 1025069086 /nfs/dbraw/zinc/06/90/86/1025069086.db2.gz XIBILVXOQQFCHY-IBGZPJMESA-N 1 3 337.492 3.764 20 30 EHEDHO COc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)ccc1C#N ZINC000281602232 1025260132 /nfs/dbraw/zinc/26/01/32/1025260132.db2.gz FXHVHLBGDSGRHN-UHFFFAOYSA-N 1 3 337.467 3.697 20 30 EHEDHO COc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)ccc1C#N ZINC000281602232 1025260140 /nfs/dbraw/zinc/26/01/40/1025260140.db2.gz FXHVHLBGDSGRHN-UHFFFAOYSA-N 1 3 337.467 3.697 20 30 EHEDHO CN(CCc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595334132 1033733373 /nfs/dbraw/zinc/73/33/73/1033733373.db2.gz MKOPDGAZGPVJQD-QFIPXVFZSA-N 1 3 333.479 3.555 20 30 EHEDHO CN(CCc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595334132 1033733389 /nfs/dbraw/zinc/73/33/89/1033733389.db2.gz MKOPDGAZGPVJQD-QFIPXVFZSA-N 1 3 333.479 3.555 20 30 EHEDHO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309789426 1038850201 /nfs/dbraw/zinc/85/02/01/1038850201.db2.gz OGRJWTNTVDLIEM-DOTOQJQBSA-N 1 3 325.481 3.620 20 30 EHEDHO C=CC[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380302 1042093623 /nfs/dbraw/zinc/09/36/23/1042093623.db2.gz FIUPNWIBQJMDOI-BGYRXZFFSA-N 1 3 332.532 3.579 20 30 EHEDHO C=CC[C@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380302 1042093632 /nfs/dbraw/zinc/09/36/32/1042093632.db2.gz FIUPNWIBQJMDOI-BGYRXZFFSA-N 1 3 332.532 3.579 20 30 EHEDHO C=CC[C@H]1CCC[N@@H+](CC2(CN3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380302 1042093642 /nfs/dbraw/zinc/09/36/42/1042093642.db2.gz FIUPNWIBQJMDOI-BGYRXZFFSA-N 1 3 332.532 3.579 20 30 EHEDHO C=CC[C@H]1CCC[N@H+](CC2(CN3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380302 1042093649 /nfs/dbraw/zinc/09/36/49/1042093649.db2.gz FIUPNWIBQJMDOI-BGYRXZFFSA-N 1 3 332.532 3.579 20 30 EHEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000815652368 1136626932 /nfs/dbraw/zinc/62/69/32/1136626932.db2.gz ZLMNWBNPMOPBEL-CYBMUJFWSA-N 1 3 333.526 3.786 20 30 EHEDHO C#CC[N@H+](C)CCCN[C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000815652368 1136626933 /nfs/dbraw/zinc/62/69/33/1136626933.db2.gz ZLMNWBNPMOPBEL-CYBMUJFWSA-N 1 3 333.526 3.786 20 30 EHEDHO C#CCCC1(CCN[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975857 1137525243 /nfs/dbraw/zinc/52/52/43/1137525243.db2.gz GTVANLZZRNPTDA-IBGZPJMESA-N 1 3 338.499 3.985 20 30 EHEDHO C#CCCC1(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975857 1137525245 /nfs/dbraw/zinc/52/52/45/1137525245.db2.gz GTVANLZZRNPTDA-IBGZPJMESA-N 1 3 338.499 3.985 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172298900 1137549072 /nfs/dbraw/zinc/54/90/72/1137549072.db2.gz IEZHEOLZBREYAX-UTKZUKDTSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172298900 1137549073 /nfs/dbraw/zinc/54/90/73/1137549073.db2.gz IEZHEOLZBREYAX-UTKZUKDTSA-N 1 3 325.500 3.733 20 30 EHEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000876708705 1137659421 /nfs/dbraw/zinc/65/94/21/1137659421.db2.gz YSLIZBQIWSBBJW-KRWDZBQOSA-N 1 3 349.906 3.860 20 30 EHEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000876708705 1137659422 /nfs/dbraw/zinc/65/94/22/1137659422.db2.gz YSLIZBQIWSBBJW-KRWDZBQOSA-N 1 3 349.906 3.860 20 30 EHEDHO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000383094073 1023026035 /nfs/dbraw/zinc/02/60/35/1023026035.db2.gz XFHNMCRTNARUNA-HXUWFJFHSA-N 1 3 349.478 3.521 20 30 EHEDHO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000383094073 1023026050 /nfs/dbraw/zinc/02/60/50/1023026050.db2.gz XFHNMCRTNARUNA-HXUWFJFHSA-N 1 3 349.478 3.521 20 30 EHEDHO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000423531071 1028485967 /nfs/dbraw/zinc/48/59/67/1028485967.db2.gz QCPICSCGTHOQCE-YGZJECHCSA-N 1 3 345.490 3.736 20 30 EHEDHO C[C@H]1C[C@@H](NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000399043129 1036607699 /nfs/dbraw/zinc/60/76/99/1036607699.db2.gz SGUVXHPWVIAZBT-AVRDEDQJSA-N 1 3 333.479 3.895 20 30 EHEDHO C[C@H]1C[C@@H](NCc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399043129 1036607707 /nfs/dbraw/zinc/60/77/07/1036607707.db2.gz SGUVXHPWVIAZBT-AVRDEDQJSA-N 1 3 333.479 3.895 20 30 EHEDHO C=CCOc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000093688580 1125289361 /nfs/dbraw/zinc/28/93/61/1125289361.db2.gz XMNSKINTLMPGCB-UHFFFAOYSA-N 1 3 346.515 3.814 20 30 EHEDHO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@H](N)[C@@H](F)CC3)cc2)cc1 ZINC001206175206 1131834505 /nfs/dbraw/zinc/83/45/05/1131834505.db2.gz SIWZKQNRRGSMDV-PMACEKPBSA-N 1 3 339.414 3.612 20 30 EHEDHO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@H](N)[C@@H](F)CC3)cc2)cc1 ZINC001206175206 1131834510 /nfs/dbraw/zinc/83/45/10/1131834510.db2.gz SIWZKQNRRGSMDV-PMACEKPBSA-N 1 3 339.414 3.612 20 30 EHEDHO CN(C)/C=N/c1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1C#N ZINC001169153800 1132679732 /nfs/dbraw/zinc/67/97/32/1132679732.db2.gz UJXJJISQDXUXJT-PKYUIECSSA-N 1 3 341.503 3.735 20 30 EHEDHO C#CCOc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000769402569 1133278210 /nfs/dbraw/zinc/27/82/10/1133278210.db2.gz KSXLEIRDWJDJMP-JOCHJYFZSA-N 1 3 348.490 3.653 20 30 EHEDHO C#CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000769402569 1133278216 /nfs/dbraw/zinc/27/82/16/1133278216.db2.gz KSXLEIRDWJDJMP-JOCHJYFZSA-N 1 3 348.490 3.653 20 30 EHEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000815652369 1136626954 /nfs/dbraw/zinc/62/69/54/1136626954.db2.gz ZLMNWBNPMOPBEL-ZDUSSCGKSA-N 1 3 333.526 3.786 20 30 EHEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000815652369 1136626956 /nfs/dbraw/zinc/62/69/56/1136626956.db2.gz ZLMNWBNPMOPBEL-ZDUSSCGKSA-N 1 3 333.526 3.786 20 30 EHEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000818346999 1136869951 /nfs/dbraw/zinc/86/99/51/1136869951.db2.gz MFZWPMYWPGNRMG-QRFRQXIXSA-N 1 3 346.515 3.779 20 30 EHEDHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617377 1137369804 /nfs/dbraw/zinc/36/98/04/1137369804.db2.gz IBSQGRZYWDYZLN-URZJWIJPSA-N 1 3 337.511 3.658 20 30 EHEDHO N#CC1CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886605316 1138100994 /nfs/dbraw/zinc/10/09/94/1138100994.db2.gz NSJZSSDDCPUSHV-UPVYYXOFSA-N 1 3 337.511 3.959 20 30 EHEDHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682000 1139924371 /nfs/dbraw/zinc/92/43/71/1139924371.db2.gz UEZPAELBUACGMK-NQIIRXRSSA-N 1 3 333.479 3.773 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268917399 1141024936 /nfs/dbraw/zinc/02/49/36/1141024936.db2.gz VMWZFXFQKGFNBT-SIKLNZKXSA-N 1 3 341.543 3.670 20 30 EHEDHO CCCN1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271077736 1141305403 /nfs/dbraw/zinc/30/54/03/1141305403.db2.gz PKAFBDAVMKWHDN-KMFTYDHNSA-N 1 3 325.500 3.712 20 30 EHEDHO C=CCOc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000518767575 1021520636 /nfs/dbraw/zinc/52/06/36/1021520636.db2.gz ITIFJTSYWZTSGI-UHFFFAOYSA-N 1 3 336.479 3.789 20 30 EHEDHO C=CCOc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000518767575 1021520646 /nfs/dbraw/zinc/52/06/46/1021520646.db2.gz ITIFJTSYWZTSGI-UHFFFAOYSA-N 1 3 336.479 3.789 20 30 EHEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550886398 1030765142 /nfs/dbraw/zinc/76/51/42/1030765142.db2.gz OTQPCHJHTHUOGG-TZIWHRDSSA-N 1 3 342.527 3.860 20 30 EHEDHO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309763648 1128914685 /nfs/dbraw/zinc/91/46/85/1128914685.db2.gz FKZRAMJGUSZVBB-MAUKXSAKSA-N 1 3 325.481 3.620 20 30 EHEDHO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000272231024 1121109095 /nfs/dbraw/zinc/10/90/95/1121109095.db2.gz UQBUMHWOEFXPTH-FXAWDEMLSA-N 1 3 349.478 3.567 20 30 EHEDHO C#CCOc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000113329476 1136697360 /nfs/dbraw/zinc/69/73/60/1136697360.db2.gz METZFIHIRYLLOY-UHFFFAOYSA-N 1 3 336.479 3.829 20 30 EHEDHO C#CCOc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000113329476 1136697362 /nfs/dbraw/zinc/69/73/62/1136697362.db2.gz METZFIHIRYLLOY-UHFFFAOYSA-N 1 3 336.479 3.829 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172307929 1137545529 /nfs/dbraw/zinc/54/55/29/1137545529.db2.gz RCIQOSQASBKHFL-RXVVDRJESA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172307929 1137545531 /nfs/dbraw/zinc/54/55/31/1137545531.db2.gz RCIQOSQASBKHFL-RXVVDRJESA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172307929 1137545532 /nfs/dbraw/zinc/54/55/32/1137545532.db2.gz RCIQOSQASBKHFL-RXVVDRJESA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172307930 1137545693 /nfs/dbraw/zinc/54/56/93/1137545693.db2.gz RCIQOSQASBKHFL-WIYYLYMNSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172307930 1137545694 /nfs/dbraw/zinc/54/56/94/1137545694.db2.gz RCIQOSQASBKHFL-WIYYLYMNSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172307930 1137545695 /nfs/dbraw/zinc/54/56/95/1137545695.db2.gz RCIQOSQASBKHFL-WIYYLYMNSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172312798 1137546187 /nfs/dbraw/zinc/54/61/87/1137546187.db2.gz JNRJKMRBZAUDJJ-OFAXGOBFSA-N 1 3 345.490 3.553 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172312798 1137546188 /nfs/dbraw/zinc/54/61/88/1137546188.db2.gz JNRJKMRBZAUDJJ-OFAXGOBFSA-N 1 3 345.490 3.553 20 30 EHEDHO C=CCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1Cc2ccccc2O1 ZINC000883173393 1137847246 /nfs/dbraw/zinc/84/72/46/1137847246.db2.gz KAWSVIJDJJCCJZ-BNDYYXHWSA-N 1 3 326.484 3.541 20 30 EHEDHO C=CCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1Cc2ccccc2O1 ZINC000883173393 1137847247 /nfs/dbraw/zinc/84/72/47/1137847247.db2.gz KAWSVIJDJJCCJZ-BNDYYXHWSA-N 1 3 326.484 3.541 20 30 EHEDHO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544251 1032953191 /nfs/dbraw/zinc/95/31/91/1032953191.db2.gz GQODPIHHVZCBIZ-ROUUACIJSA-N 1 3 335.536 3.576 20 30 EHEDHO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544251 1032953201 /nfs/dbraw/zinc/95/32/01/1032953201.db2.gz GQODPIHHVZCBIZ-ROUUACIJSA-N 1 3 335.536 3.576 20 30 EHEDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594919290 1033544099 /nfs/dbraw/zinc/54/40/99/1033544099.db2.gz HHHCOBAJGJZUGZ-UHFFFAOYSA-N 1 3 333.479 3.983 20 30 EHEDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594919290 1033544107 /nfs/dbraw/zinc/54/41/07/1033544107.db2.gz HHHCOBAJGJZUGZ-UHFFFAOYSA-N 1 3 333.479 3.983 20 30 EHEDHO C#CCOc1ccc(CNCc2ccccc2C[NH+](CC)CC)cc1 ZINC000236913362 1040152898 /nfs/dbraw/zinc/15/28/98/1040152898.db2.gz QITIJWWQKKBSIP-UHFFFAOYSA-N 1 3 336.479 3.830 20 30 EHEDHO C=CCOc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000073650524 1134008703 /nfs/dbraw/zinc/00/87/03/1134008703.db2.gz CAOULOYNZFTVGS-UHFFFAOYSA-N 1 3 340.467 3.611 20 30 EHEDHO C#CCCOc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000113317917 1136694494 /nfs/dbraw/zinc/69/44/94/1136694494.db2.gz NHLDTKFWVFWUBM-UHFFFAOYSA-N 1 3 348.490 3.974 20 30 EHEDHO CN(C/C=C/C[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000052580247 1138046141 /nfs/dbraw/zinc/04/61/41/1138046141.db2.gz LYQQUVGVIUEEOE-ONEGZZNKSA-N 1 3 344.462 3.550 20 30 EHEDHO CN(C/C=C/C[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000052580247 1138046143 /nfs/dbraw/zinc/04/61/43/1138046143.db2.gz LYQQUVGVIUEEOE-ONEGZZNKSA-N 1 3 344.462 3.550 20 30 EHEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000459729986 1032434702 /nfs/dbraw/zinc/43/47/02/1032434702.db2.gz LEVFRCDIDZSEFR-VAMGGRTRSA-N 1 3 325.500 3.817 20 30 EHEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000459729986 1032434705 /nfs/dbraw/zinc/43/47/05/1032434705.db2.gz LEVFRCDIDZSEFR-VAMGGRTRSA-N 1 3 325.500 3.817 20 30 EHEDHO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000459729986 1032434712 /nfs/dbraw/zinc/43/47/12/1032434712.db2.gz LEVFRCDIDZSEFR-VAMGGRTRSA-N 1 3 325.500 3.817 20 30 EHEDHO C[C@H](CC1(C#N)CCOCC1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000602574377 1032984227 /nfs/dbraw/zinc/98/42/27/1032984227.db2.gz ZONQYPGTLCYZKA-MOPGFXCFSA-N 1 3 343.515 3.586 20 30 EHEDHO C[C@H](CC1(C#N)CCOCC1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602574377 1032984240 /nfs/dbraw/zinc/98/42/40/1032984240.db2.gz ZONQYPGTLCYZKA-MOPGFXCFSA-N 1 3 343.515 3.586 20 30 EHEDHO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000602606743 1033024364 /nfs/dbraw/zinc/02/43/64/1033024364.db2.gz GLHQOEOPPNCELW-CWJKEVGVSA-N 1 3 325.500 3.817 20 30 EHEDHO CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278339122 1030247018 /nfs/dbraw/zinc/24/70/18/1030247018.db2.gz XGIJMWBTFFMMMM-NRFANRHFSA-N 1 3 337.467 3.740 20 30 EHEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550886396 1030765237 /nfs/dbraw/zinc/76/52/37/1030765237.db2.gz OTQPCHJHTHUOGG-FPOVZHCZSA-N 1 3 342.527 3.860 20 30 EHEDHO COc1ccc(C#N)cc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605956 1036677314 /nfs/dbraw/zinc/67/73/14/1036677314.db2.gz WMILLHIBNPQCAB-UHFFFAOYSA-N 1 3 341.499 3.655 20 30 EHEDHO C[C@@H]1C[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000766107930 1130322434 /nfs/dbraw/zinc/32/24/34/1130322434.db2.gz JIIHEMSKMQZZJU-PBHICJAKSA-N 1 3 325.481 3.859 20 30 EHEDHO C[C@@H]1C[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000766107930 1130322440 /nfs/dbraw/zinc/32/24/40/1130322440.db2.gz JIIHEMSKMQZZJU-PBHICJAKSA-N 1 3 325.481 3.859 20 30 EHEDHO N#Cc1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172068353 1137534058 /nfs/dbraw/zinc/53/40/58/1137534058.db2.gz VNABQGQXIZTYFM-KOUNCHBCSA-N 1 3 346.478 3.629 20 30 EHEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271065761 1141303860 /nfs/dbraw/zinc/30/38/60/1141303860.db2.gz JCOFRNGHZROXTF-YZDRJCRTSA-N 1 3 325.500 3.853 20 30 EHEDHO N#CCc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000398997745 1036607456 /nfs/dbraw/zinc/60/74/56/1036607456.db2.gz QQECZSSPIGDBPY-PKTZIBPZSA-N 1 3 345.490 3.707 20 30 EHEDHO N#CCc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000398997745 1036607466 /nfs/dbraw/zinc/60/74/66/1036607466.db2.gz QQECZSSPIGDBPY-PKTZIBPZSA-N 1 3 345.490 3.707 20 30 EHEDHO N#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000111391295 1128864032 /nfs/dbraw/zinc/86/40/32/1128864032.db2.gz KCSOOIAFFVKREO-FRIKZZABSA-N 1 3 331.463 3.843 20 30 EHEDHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488013382 1121612311 /nfs/dbraw/zinc/61/23/11/1121612311.db2.gz WHOZTOIHPPCHBQ-XMSQKQJNSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488013382 1121612317 /nfs/dbraw/zinc/61/23/17/1121612317.db2.gz WHOZTOIHPPCHBQ-XMSQKQJNSA-N 1 3 333.479 3.867 20 30 EHEDHO N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000282125583 1121847007 /nfs/dbraw/zinc/84/70/07/1121847007.db2.gz BBTSAWYMTNMOFU-MMHUWFFVSA-N 1 3 337.511 3.817 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001171194983 1137301473 /nfs/dbraw/zinc/30/14/73/1137301473.db2.gz OATJDGKPWJXRIY-QGZVFWFLSA-N 1 3 325.500 3.733 20 30 EHEDHO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172070452 1137529915 /nfs/dbraw/zinc/52/99/15/1137529915.db2.gz OSZZPKIKWAZDPL-DKUWSORSSA-N 1 3 346.478 3.629 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172307926 1137545606 /nfs/dbraw/zinc/54/56/06/1137545606.db2.gz RCIQOSQASBKHFL-GHTZIAJQSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172307926 1137545608 /nfs/dbraw/zinc/54/56/08/1137545608.db2.gz RCIQOSQASBKHFL-GHTZIAJQSA-N 1 3 325.500 3.830 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172307926 1137545610 /nfs/dbraw/zinc/54/56/10/1137545610.db2.gz RCIQOSQASBKHFL-GHTZIAJQSA-N 1 3 325.500 3.830 20 30 EHEDHO CCC1(CNCc2ccc(C#N)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000538428622 1032357579 /nfs/dbraw/zinc/35/75/79/1032357579.db2.gz BVXXCPVUIDMXHQ-UHFFFAOYSA-N 1 3 337.467 3.933 20 30 EHEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399015605 1024780183 /nfs/dbraw/zinc/78/01/83/1024780183.db2.gz BWRJDQYEPQLRAT-PGRDOPGGSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399015605 1024780192 /nfs/dbraw/zinc/78/01/92/1024780192.db2.gz BWRJDQYEPQLRAT-PGRDOPGGSA-N 1 3 333.479 3.753 20 30 EHEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152204 1029363707 /nfs/dbraw/zinc/36/37/07/1029363707.db2.gz AERBCPIYSZUXNQ-QMMLZNLJSA-N 1 3 343.515 3.736 20 30 EHEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152204 1029363720 /nfs/dbraw/zinc/36/37/20/1029363720.db2.gz AERBCPIYSZUXNQ-QMMLZNLJSA-N 1 3 343.515 3.736 20 30 EHEDHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC#Cc1ccccc1 ZINC000483730057 1031307177 /nfs/dbraw/zinc/30/71/77/1031307177.db2.gz PJHKRMTUOMUORC-PMACEKPBSA-N 1 3 332.491 3.784 20 30 EHEDHO C[NH+](C)C1CCC(N2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001168328648 1034188730 /nfs/dbraw/zinc/18/87/30/1034188730.db2.gz AOSLNGPOPMPFMU-UHFFFAOYSA-N 1 3 329.463 3.556 20 30 EHEDHO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309763651 1128914396 /nfs/dbraw/zinc/91/43/96/1128914396.db2.gz FKZRAMJGUSZVBB-YJBOKZPZSA-N 1 3 325.481 3.620 20 30 EHEDHO N#Cc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120753 1128982310 /nfs/dbraw/zinc/98/23/10/1128982310.db2.gz HBIDSQLNGJEBEX-YADHBBJMSA-N 1 3 331.463 3.512 20 30 EHEDHO N#Cc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120753 1128982314 /nfs/dbraw/zinc/98/23/14/1128982314.db2.gz HBIDSQLNGJEBEX-YADHBBJMSA-N 1 3 331.463 3.512 20 30 EHEDHO CCN(CC)c1ccc(/C=[NH+]\C2CC(C)(C)[NH2+]C(C)(C)C2)c([O-])c1 ZINC000920946247 1123441825 /nfs/dbraw/zinc/44/18/25/1123441825.db2.gz WIEGVPUHMNSNJK-STZFKDTASA-N 1 3 331.504 3.967 20 30 EHEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000459729969 1032434860 /nfs/dbraw/zinc/43/48/60/1032434860.db2.gz LEVFRCDIDZSEFR-HSALFYBXSA-N 1 3 325.500 3.817 20 30 EHEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000459729969 1032434867 /nfs/dbraw/zinc/43/48/67/1032434867.db2.gz LEVFRCDIDZSEFR-HSALFYBXSA-N 1 3 325.500 3.817 20 30 EHEDHO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000459729969 1032434881 /nfs/dbraw/zinc/43/48/81/1032434881.db2.gz LEVFRCDIDZSEFR-HSALFYBXSA-N 1 3 325.500 3.817 20 30 EHEDHO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000442777932 1025469316 /nfs/dbraw/zinc/46/93/16/1025469316.db2.gz GOIHQTIUQICYDT-SJLPKXTDSA-N 1 3 331.891 3.834 20 30 EHEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000152986961 1026803930 /nfs/dbraw/zinc/80/39/30/1026803930.db2.gz XZZHYLJZPVXESV-MRXNPFEDSA-N 1 3 330.472 3.539 20 30 EHEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000424323471 1028971448 /nfs/dbraw/zinc/97/14/48/1028971448.db2.gz JEFRZBUOYHQPPG-QMCAAQAGSA-N 1 3 337.511 3.959 20 30 EHEDHO N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F ZINC000453371453 1030188177 /nfs/dbraw/zinc/18/81/77/1030188177.db2.gz GHZMIFWVUHMIFS-WKCHPHFGSA-N 1 3 349.453 3.983 20 30 EHEDHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000599372419 1033891217 /nfs/dbraw/zinc/89/12/17/1033891217.db2.gz JLUKGHSGEAKPQM-GCJKJVERSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000599372419 1033891232 /nfs/dbraw/zinc/89/12/32/1033891232.db2.gz JLUKGHSGEAKPQM-GCJKJVERSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000599372421 1033892003 /nfs/dbraw/zinc/89/20/03/1033892003.db2.gz JLUKGHSGEAKPQM-XMSQKQJNSA-N 1 3 333.479 3.867 20 30 EHEDHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000599372421 1033892023 /nfs/dbraw/zinc/89/20/23/1033892023.db2.gz JLUKGHSGEAKPQM-XMSQKQJNSA-N 1 3 333.479 3.867 20 30 EHEDHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000594722867 1036175209 /nfs/dbraw/zinc/17/52/09/1036175209.db2.gz UPKKQTJJSBCIPA-QGZVFWFLSA-N 1 3 334.467 3.516 20 30 EHEDHO Cc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1C#N ZINC000341258780 1037861751 /nfs/dbraw/zinc/86/17/51/1037861751.db2.gz BNVCWOMCYYAFRU-UHFFFAOYSA-N 1 3 349.478 3.630 20 30 EHEDHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000278886471 1042838141 /nfs/dbraw/zinc/83/81/41/1042838141.db2.gz YHHDJMSYQWEOHU-HXUWFJFHSA-N 1 3 337.467 3.740 20 30 EHEDHO COc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000281720171 1129714979 /nfs/dbraw/zinc/71/49/79/1129714979.db2.gz PCALBSOCBNYFOC-UWJYYQICSA-N 1 3 349.478 3.567 20 30 EHEDHO C=CC[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000766019118 1129804105 /nfs/dbraw/zinc/80/41/05/1129804105.db2.gz KDOZJEUUFDEUSF-UTKZUKDTSA-N 1 3 339.483 3.990 20 30 EHEDHO C=CCOC1CCC(N2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001173318829 1132061244 /nfs/dbraw/zinc/06/12/44/1132061244.db2.gz OADRCXSGYPFMKU-UHFFFAOYSA-N 1 3 332.463 3.589 20 30 EHEDHO CC1CC[NH+](CC[C@H]2CCCN2CCc2ccc(C#N)cc2)CC1 ZINC001175362514 1132649890 /nfs/dbraw/zinc/64/98/90/1132649890.db2.gz WBVNWFMDMBEOPW-OAQYLSRUSA-N 1 3 325.500 3.687 20 30 EHEDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181696549 1139924993 /nfs/dbraw/zinc/92/49/93/1139924993.db2.gz NGKKDIBZMRZOHD-KRWDZBQOSA-N 1 3 337.467 3.891 20 30 EHEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181696549 1139924994 /nfs/dbraw/zinc/92/49/94/1139924994.db2.gz NGKKDIBZMRZOHD-KRWDZBQOSA-N 1 3 337.467 3.891 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000268843429 1141005384 /nfs/dbraw/zinc/00/53/84/1141005384.db2.gz DEWPLMPRSKJUOV-KNQAVFIVSA-N 1 3 341.543 3.527 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274819236 1015429573 /nfs/dbraw/zinc/42/95/73/1015429573.db2.gz BIDOGDPMALNOLV-CTNGQTDRSA-N 1 3 341.543 3.527 20 30 EHEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544253 1032954231 /nfs/dbraw/zinc/95/42/31/1032954231.db2.gz GQODPIHHVZCBIZ-ZWKOTPCHSA-N 1 3 335.536 3.576 20 30 EHEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544253 1032954249 /nfs/dbraw/zinc/95/42/49/1032954249.db2.gz GQODPIHHVZCBIZ-ZWKOTPCHSA-N 1 3 335.536 3.576 20 30 EHEDHO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000610829922 1023779898 /nfs/dbraw/zinc/77/98/98/1023779898.db2.gz SANASUFYPGJVOG-DLBZAZTESA-N 1 3 337.467 3.910 20 30 EHEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000278152212 1029362569 /nfs/dbraw/zinc/36/25/69/1029362569.db2.gz AERBCPIYSZUXNQ-YYWHXJBOSA-N 1 3 343.515 3.736 20 30 EHEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000278152212 1029362583 /nfs/dbraw/zinc/36/25/83/1029362583.db2.gz AERBCPIYSZUXNQ-YYWHXJBOSA-N 1 3 343.515 3.736 20 30 EHEDHO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000532207139 1030461987 /nfs/dbraw/zinc/46/19/87/1030461987.db2.gz XGFWYJMFLFOISU-DLBZAZTESA-N 1 3 337.467 3.910 20 30 EHEDHO N#CC1(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000594980930 1033615828 /nfs/dbraw/zinc/61/58/28/1033615828.db2.gz DDSXVXPEMFKKSC-UHFFFAOYSA-N 1 3 343.490 3.896 20 30 EHEDHO C=CCOc1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000311062420 1036950467 /nfs/dbraw/zinc/95/04/67/1036950467.db2.gz XKDOXGQBKCXXDZ-HXUWFJFHSA-N 1 3 336.479 3.863 20 30 EHEDHO C=CCCC[C@@H](C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512449704 1039185312 /nfs/dbraw/zinc/18/53/12/1039185312.db2.gz KHIHWRUJISRVCJ-IRLDBZIGSA-N 1 3 341.543 3.623 20 30 EHEDHO C=CCCC[C@@H](C)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449704 1039185318 /nfs/dbraw/zinc/18/53/18/1039185318.db2.gz KHIHWRUJISRVCJ-IRLDBZIGSA-N 1 3 341.543 3.623 20 30 EHEDHO C=CCCC[C@H](C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512449706 1039185811 /nfs/dbraw/zinc/18/58/11/1039185811.db2.gz KHIHWRUJISRVCJ-UNMCSNQZSA-N 1 3 341.543 3.623 20 30 EHEDHO C=CCCC[C@H](C)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449706 1039185819 /nfs/dbraw/zinc/18/58/19/1039185819.db2.gz KHIHWRUJISRVCJ-UNMCSNQZSA-N 1 3 341.543 3.623 20 30 EHEDHO N#Cc1cccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064615976 1128947613 /nfs/dbraw/zinc/94/76/13/1128947613.db2.gz IYMKLMZKKOGSBT-GOSISDBHSA-N 1 3 325.481 3.622 20 30 EHEDHO N#Cc1cccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064615976 1128947617 /nfs/dbraw/zinc/94/76/17/1128947617.db2.gz IYMKLMZKKOGSBT-GOSISDBHSA-N 1 3 325.481 3.622 20 30 EHEDHO C#CCOc1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000113321614 1136696959 /nfs/dbraw/zinc/69/69/59/1136696959.db2.gz BHWMRUVVEUGCGP-UHFFFAOYSA-N 1 3 336.479 3.829 20 30 EHEDHO C#CCOc1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000113321614 1136696960 /nfs/dbraw/zinc/69/69/60/1136696960.db2.gz BHWMRUVVEUGCGP-UHFFFAOYSA-N 1 3 336.479 3.829 20 30 EHEDHO CC(C)(C#N)c1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134917860 1138712932 /nfs/dbraw/zinc/71/29/32/1138712932.db2.gz KXQACTLRRDQESH-NQIIRXRSSA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(C#N)c1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134917860 1138712935 /nfs/dbraw/zinc/71/29/35/1138712935.db2.gz KXQACTLRRDQESH-NQIIRXRSSA-N 1 3 337.511 3.936 20 30 EHEDHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174431676 1139420321 /nfs/dbraw/zinc/42/03/21/1139420321.db2.gz NBGXEWIFPPCFBI-KRWDZBQOSA-N 1 3 337.467 3.740 20 30 EHEDHO N#CC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000602608276 1033024396 /nfs/dbraw/zinc/02/43/96/1033024396.db2.gz LSOOBGWAHOCVQD-HODLZWQNSA-N 1 3 337.511 3.959 20 30 EHEDHO N#Cc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000595001841 1033628222 /nfs/dbraw/zinc/62/82/22/1033628222.db2.gz ZZLOXTPCUKOBSU-QFIPXVFZSA-N 1 3 345.490 3.950 20 30 EHEDHO C[C@@H]1C[C@H](NCc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000399043152 1036605278 /nfs/dbraw/zinc/60/52/78/1036605278.db2.gz SGUVXHPWVIAZBT-XMSQKQJNSA-N 1 3 333.479 3.895 20 30 EHEDHO C[C@@H]1C[C@H](NCc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399043152 1036605287 /nfs/dbraw/zinc/60/52/87/1036605287.db2.gz SGUVXHPWVIAZBT-XMSQKQJNSA-N 1 3 333.479 3.895 20 30 EHEDHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000539495703 1036830348 /nfs/dbraw/zinc/83/03/48/1036830348.db2.gz BPGNKPDXKNDCPA-SFHVURJKSA-N 1 3 349.478 3.884 20 30 EHEDHO CC(C)(C#N)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000614176173 1040378616 /nfs/dbraw/zinc/37/86/16/1040378616.db2.gz OKJDVJQWNUGGSD-WIYYLYMNSA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(C#N)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000614176173 1040378627 /nfs/dbraw/zinc/37/86/27/1040378627.db2.gz OKJDVJQWNUGGSD-WIYYLYMNSA-N 1 3 337.511 3.936 20 30 EHEDHO C=C(C)COc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1OC ZINC000195322366 1127477018 /nfs/dbraw/zinc/47/70/18/1127477018.db2.gz RSDACTNIQBOGKS-UHFFFAOYSA-N 1 3 344.499 3.614 20 30 EHEDHO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000403981012 1128672953 /nfs/dbraw/zinc/67/29/53/1128672953.db2.gz ATZPCTAHLPPODR-OXQOHEQNSA-N 1 3 337.442 3.698 20 30 EHEDHO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000403981019 1128673188 /nfs/dbraw/zinc/67/31/88/1128673188.db2.gz ATZPCTAHLPPODR-UZLBHIALSA-N 1 3 337.442 3.698 20 30 EHEDHO C=CC[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000766019115 1129804445 /nfs/dbraw/zinc/80/44/45/1129804445.db2.gz KDOZJEUUFDEUSF-DYESRHJHSA-N 1 3 339.483 3.990 20 30 EHEDHO C#Cc1ccc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001177982011 1133126292 /nfs/dbraw/zinc/12/62/92/1133126292.db2.gz ZJBMJWHJFIXZEP-OALUTQOASA-N 1 3 332.491 3.914 20 30 EHEDHO N#CC1(c2ccccc2)CCC(N2CCC([NH3+])(CC3CC3)CC2)CC1 ZINC001170371029 1134757605 /nfs/dbraw/zinc/75/76/05/1134757605.db2.gz ACFKPGYSQVEUSX-UHFFFAOYSA-N 1 3 337.511 3.984 20 30 EHEDHO CCCCCCCN1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001201762894 1136061360 /nfs/dbraw/zinc/06/13/60/1136061360.db2.gz YWJQGYKGJKREMM-UHFFFAOYSA-N 1 3 338.536 3.696 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001171204315 1137325010 /nfs/dbraw/zinc/32/50/10/1137325010.db2.gz VMTNSJHESMCSIF-RTBURBONSA-N 1 3 337.511 3.900 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001171204315 1137325011 /nfs/dbraw/zinc/32/50/11/1137325011.db2.gz VMTNSJHESMCSIF-RTBURBONSA-N 1 3 337.511 3.900 20 30 EHEDHO C=CCC1(O)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000886778678 1138139019 /nfs/dbraw/zinc/13/90/19/1138139019.db2.gz NXJBQYVJLGIWAD-UHFFFAOYSA-N 1 3 328.500 3.576 20 30 EHEDHO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185697146 1140164321 /nfs/dbraw/zinc/16/43/21/1140164321.db2.gz RXNQFNIAODAGLW-HKUYNNGSSA-N 1 3 341.499 3.570 20 30 EHEDHO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185697114 1140164397 /nfs/dbraw/zinc/16/43/97/1140164397.db2.gz RXNQFNIAODAGLW-PKOBYXMFSA-N 1 3 341.499 3.570 20 30 EHEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905099040 1032344803 /nfs/dbraw/zinc/34/48/03/1032344803.db2.gz YHCURLLZPRKWSR-KRWDZBQOSA-N 1 3 343.298 3.657 20 30 EHEDHO C=CC1CCN(Cc2cncc(C[NH+]3CCC(C=C)CC3)c2)CC1 ZINC000515206172 1025089814 /nfs/dbraw/zinc/08/98/14/1025089814.db2.gz KTYCZTIKTZSSDJ-UHFFFAOYSA-N 1 3 325.500 3.878 20 30 EHEDHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421321217 1028262930 /nfs/dbraw/zinc/26/29/30/1028262930.db2.gz BMKAUUJESQQWHB-UHFFFAOYSA-N 1 3 325.431 3.829 20 30 EHEDHO CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278339126 1030247050 /nfs/dbraw/zinc/24/70/50/1030247050.db2.gz XGIJMWBTFFMMMM-OAQYLSRUSA-N 1 3 337.467 3.740 20 30 EHEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550886395 1030765009 /nfs/dbraw/zinc/76/50/09/1030765009.db2.gz OTQPCHJHTHUOGG-CTNGQTDRSA-N 1 3 342.527 3.860 20 30 EHEDHO C[NH+](C)CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594970074 1033577566 /nfs/dbraw/zinc/57/75/66/1033577566.db2.gz SGMCFXIIVAAGTL-UHFFFAOYSA-N 1 3 337.467 3.524 20 30 EHEDHO C=CCCCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512485393 1039464862 /nfs/dbraw/zinc/46/48/62/1039464862.db2.gz GZYNQOVUPRPBCP-JOCHJYFZSA-N 1 3 341.543 3.625 20 30 EHEDHO C=CCCCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512485393 1039464867 /nfs/dbraw/zinc/46/48/67/1039464867.db2.gz GZYNQOVUPRPBCP-JOCHJYFZSA-N 1 3 341.543 3.625 20 30 EHEDHO N#Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245689534 1130287426 /nfs/dbraw/zinc/28/74/26/1130287426.db2.gz KCSOOIAFFVKREO-KOUNCHBCSA-N 1 3 331.463 3.843 20 30 EHEDHO C#CCSCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775409201 1134743763 /nfs/dbraw/zinc/74/37/63/1134743763.db2.gz DAVGEKOWGKBWDS-QGZVFWFLSA-N 1 3 346.540 3.698 20 30 EHEDHO C#CCCOc1ccc(CNCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000113336052 1136697484 /nfs/dbraw/zinc/69/74/84/1136697484.db2.gz JSVYBOWTSJHHRB-UHFFFAOYSA-N 1 3 336.479 3.830 20 30 EHEDHO C#CCCOc1ccc(CNCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000113336052 1136697486 /nfs/dbraw/zinc/69/74/86/1136697486.db2.gz JSVYBOWTSJHHRB-UHFFFAOYSA-N 1 3 336.479 3.830 20 30 EHEDHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185782080 1140169268 /nfs/dbraw/zinc/16/92/68/1140169268.db2.gz NATIYHZXXUGQLA-MJGOQNOKSA-N 1 3 329.488 3.579 20 30 EHEDHO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000154325525 1015367203 /nfs/dbraw/zinc/36/72/03/1015367203.db2.gz XCSPMEOKGHEQHM-IAGOWNOFSA-N 1 3 337.467 3.910 20 30 EHEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)c(C#N)c1 ZINC000599659216 1034089737 /nfs/dbraw/zinc/08/97/37/1034089737.db2.gz GGMQASLTGQDCMS-UHFFFAOYSA-N 1 3 325.431 3.781 20 30 EHEDHO N#Cc1cccc(CN2CCC(Nc3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000596293901 1034148599 /nfs/dbraw/zinc/14/85/99/1034148599.db2.gz FXGXPFNTIATHPQ-UHFFFAOYSA-N 1 3 331.423 3.511 20 30 EHEDHO C[C@@H]1CN(CC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000375943681 1034980684 /nfs/dbraw/zinc/98/06/84/1034980684.db2.gz WMQBDTPQMDCNOI-HDICACEKSA-N 1 3 335.536 3.528 20 30 EHEDHO CC(C)(C#N)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000614176170 1040377614 /nfs/dbraw/zinc/37/76/14/1040377614.db2.gz OKJDVJQWNUGGSD-GHTZIAJQSA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(C#N)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000614176170 1040377627 /nfs/dbraw/zinc/37/76/27/1040377627.db2.gz OKJDVJQWNUGGSD-GHTZIAJQSA-N 1 3 337.511 3.936 20 30 EHEDHO C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)Cc1ccccc1 ZINC000404101789 1128676674 /nfs/dbraw/zinc/67/66/74/1128676674.db2.gz ZSHGYRXKZCYYBF-MRXNPFEDSA-N 1 3 325.431 3.698 20 30 EHEDHO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000272231028 1121102148 /nfs/dbraw/zinc/10/21/48/1121102148.db2.gz UQBUMHWOEFXPTH-PXNSSMCTSA-N 1 3 349.478 3.567 20 30 EHEDHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000701831814 1130175908 /nfs/dbraw/zinc/17/59/08/1130175908.db2.gz SOAAKSIRBHTUBT-RXVVDRJESA-N 1 3 333.479 3.867 20 30 EHEDHO C=CCOC1CCC(N2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173319094 1132061011 /nfs/dbraw/zinc/06/10/11/1132061011.db2.gz XTACYUXCOWXMDV-UHFFFAOYSA-N 1 3 332.463 3.589 20 30 EHEDHO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775419981 1134764627 /nfs/dbraw/zinc/76/46/27/1134764627.db2.gz FCFVOBUVNDAGTD-ROUUACIJSA-N 1 3 346.515 3.516 20 30 EHEDHO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000883390996 1137859215 /nfs/dbraw/zinc/85/92/15/1137859215.db2.gz ZCYZGTHEDSKGLS-FXAWDEMLSA-N 1 3 346.515 3.659 20 30 EHEDHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000342287489 1024718098 /nfs/dbraw/zinc/71/80/98/1024718098.db2.gz AKKWVVRHJIABHK-UHFFFAOYSA-N 1 3 342.531 3.638 20 30 EHEDHO C[C@H](C#N)Oc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000171562881 1034462108 /nfs/dbraw/zinc/46/21/08/1034462108.db2.gz VMDUMZFQRKQRSS-GOSISDBHSA-N 1 3 349.478 3.863 20 30 EHEDHO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001144576166 1137311887 /nfs/dbraw/zinc/31/18/87/1137311887.db2.gz DATSUXUPPSXQFU-HSZRJFAPSA-N 1 3 330.475 3.766 20 30 EHEDHO C#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001144576166 1137311889 /nfs/dbraw/zinc/31/18/89/1137311889.db2.gz DATSUXUPPSXQFU-HSZRJFAPSA-N 1 3 330.475 3.766 20 30 EHEDHO COc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC000174250318 1139409079 /nfs/dbraw/zinc/40/90/79/1139409079.db2.gz BVEKUCOTNRVYEH-UHFFFAOYSA-N 1 3 349.478 3.843 20 30 EHEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399015602 1024780741 /nfs/dbraw/zinc/78/07/41/1024780741.db2.gz BWRJDQYEPQLRAT-AVRDEDQJSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399015602 1024780751 /nfs/dbraw/zinc/78/07/51/1024780751.db2.gz BWRJDQYEPQLRAT-AVRDEDQJSA-N 1 3 333.479 3.753 20 30 EHEDHO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000532207140 1030462180 /nfs/dbraw/zinc/46/21/80/1030462180.db2.gz XGFWYJMFLFOISU-IAGOWNOFSA-N 1 3 337.467 3.910 20 30 EHEDHO CN(C)CC1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000582270650 1035734303 /nfs/dbraw/zinc/73/43/03/1035734303.db2.gz NHSDAODUVXUVTO-UHFFFAOYSA-N 1 3 339.405 3.789 20 30 EHEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167701579 1037068600 /nfs/dbraw/zinc/06/86/00/1037068600.db2.gz PWISJLJKUDLEPH-FQEVSTJZSA-N 1 3 332.451 3.807 20 30 EHEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167701579 1037068621 /nfs/dbraw/zinc/06/86/21/1037068621.db2.gz PWISJLJKUDLEPH-FQEVSTJZSA-N 1 3 332.451 3.807 20 30 EHEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000586780270 1041015604 /nfs/dbraw/zinc/01/56/04/1041015604.db2.gz MRXIBBRCVCBQMU-HSZRJFAPSA-N 1 3 345.490 3.965 20 30 EHEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000586780270 1041015614 /nfs/dbraw/zinc/01/56/14/1041015614.db2.gz MRXIBBRCVCBQMU-HSZRJFAPSA-N 1 3 345.490 3.965 20 30 EHEDHO N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000111391301 1128864224 /nfs/dbraw/zinc/86/42/24/1128864224.db2.gz CIDFHKRHVSGFMN-FRIKZZABSA-N 1 3 331.463 3.843 20 30 EHEDHO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309789429 1128914835 /nfs/dbraw/zinc/91/48/35/1128914835.db2.gz OGRJWTNTVDLIEM-NVXWUHKLSA-N 1 3 325.481 3.620 20 30 EHEDHO C#Cc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001144576981 1137311714 /nfs/dbraw/zinc/31/17/14/1137311714.db2.gz ZIKWBKDOJZUDHQ-UHFFFAOYSA-N 1 3 330.475 3.766 20 30 EHEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172308275 1137545683 /nfs/dbraw/zinc/54/56/83/1137545683.db2.gz JMHVRUWXGIOQGA-NQIIRXRSSA-N 1 3 337.511 3.900 20 30 EHEDHO N#Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000886635122 1138104224 /nfs/dbraw/zinc/10/42/24/1138104224.db2.gz WDORZVWXRAFCFR-VABKMULXSA-N 1 3 345.490 3.743 20 30 EHEDHO Cc1ccccc1CN1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269385842 1141102124 /nfs/dbraw/zinc/10/21/24/1141102124.db2.gz AWTZFXCGTWVHTI-UHFFFAOYSA-N 1 3 337.442 3.760 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274819255 1015429672 /nfs/dbraw/zinc/42/96/72/1015429672.db2.gz BIDOGDPMALNOLV-TZIWHRDSSA-N 1 3 341.543 3.527 20 30 EHEDHO CC(C)(C#N)c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246560097 1028657798 /nfs/dbraw/zinc/65/77/98/1028657798.db2.gz KXQACTLRRDQESH-GHTZIAJQSA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(C#N)c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246560097 1028657802 /nfs/dbraw/zinc/65/78/02/1028657802.db2.gz KXQACTLRRDQESH-GHTZIAJQSA-N 1 3 337.511 3.936 20 30 EHEDHO C[N@@H+]1C[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000594514453 1033419596 /nfs/dbraw/zinc/41/95/96/1033419596.db2.gz YDKOHKWBPYBOPY-IRLDBZIGSA-N 1 3 347.506 3.923 20 30 EHEDHO C[N@H+]1C[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000594514453 1033419606 /nfs/dbraw/zinc/41/96/06/1033419606.db2.gz YDKOHKWBPYBOPY-IRLDBZIGSA-N 1 3 347.506 3.923 20 30 EHEDHO N#Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064615902 1128947490 /nfs/dbraw/zinc/94/74/90/1128947490.db2.gz KKXDSIGNPJMBTJ-GOSISDBHSA-N 1 3 325.481 3.622 20 30 EHEDHO N#Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064615902 1128947492 /nfs/dbraw/zinc/94/74/92/1128947492.db2.gz KKXDSIGNPJMBTJ-GOSISDBHSA-N 1 3 325.481 3.622 20 30 EHEDHO C=CCc1cc(CN2CCC(CCC[NH+](C)C)CC2)cc(OC)c1O ZINC000093688462 1125289501 /nfs/dbraw/zinc/28/95/01/1125289501.db2.gz QDGFWJKFRUXWMJ-UHFFFAOYSA-N 1 3 346.515 3.683 20 30 EHEDHO CC[NH+](CC)Cc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000124935102 1129646825 /nfs/dbraw/zinc/64/68/25/1129646825.db2.gz POYODVDHVOLZNV-UHFFFAOYSA-N 1 3 337.467 3.698 20 30 EHEDHO Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1C#N ZINC000922759678 1129653384 /nfs/dbraw/zinc/65/33/84/1129653384.db2.gz SWYLPCKYHLFFPK-UHFFFAOYSA-N 1 3 349.478 3.631 20 30 EHEDHO C=CC[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000766022325 1129817653 /nfs/dbraw/zinc/81/76/53/1129817653.db2.gz RDAPCHNKUMIBJA-UWJYYQICSA-N 1 3 339.483 3.990 20 30 EHEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(N2CCCc3ccc(CN)nc32)cc1 ZINC001169592039 1132790866 /nfs/dbraw/zinc/79/08/66/1132790866.db2.gz UEALYNUIBPXOOJ-NRFANRHFSA-N 1 3 348.494 3.948 20 30 EHEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(N2CCCc3ccc(CN)nc32)cc1 ZINC001169592039 1132790871 /nfs/dbraw/zinc/79/08/71/1132790871.db2.gz UEALYNUIBPXOOJ-NRFANRHFSA-N 1 3 348.494 3.948 20 30 EHEDHO COc1cc(CNCc2ccccc2C[N@H+](C)C(C)C)ccc1C#N ZINC000281665214 1025346269 /nfs/dbraw/zinc/34/62/69/1025346269.db2.gz LBYHWEKRWNNMGK-UHFFFAOYSA-N 1 3 337.467 3.697 20 30 EHEDHO COc1cc(CNCc2ccccc2C[N@@H+](C)C(C)C)ccc1C#N ZINC000281665214 1025346285 /nfs/dbraw/zinc/34/62/85/1025346285.db2.gz LBYHWEKRWNNMGK-UHFFFAOYSA-N 1 3 337.467 3.697 20 30 EHEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442719538 1025453612 /nfs/dbraw/zinc/45/36/12/1025453612.db2.gz QFUOAGCVYNFCKI-BMQTXXJKSA-N 1 3 325.500 3.946 20 30 EHEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442719538 1025453617 /nfs/dbraw/zinc/45/36/17/1025453617.db2.gz QFUOAGCVYNFCKI-BMQTXXJKSA-N 1 3 325.500 3.946 20 30 EHEDHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2cccc(C#N)c2)CC1 ZINC000467447581 1025637171 /nfs/dbraw/zinc/63/71/71/1025637171.db2.gz ASTJCDMMHLWZGF-UTKZUKDTSA-N 1 3 325.500 3.733 20 30 EHEDHO CC(C)(C#N)c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246560105 1028657398 /nfs/dbraw/zinc/65/73/98/1028657398.db2.gz KXQACTLRRDQESH-RXVVDRJESA-N 1 3 337.511 3.936 20 30 EHEDHO CC(C)(C#N)c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246560105 1028657409 /nfs/dbraw/zinc/65/74/09/1028657409.db2.gz KXQACTLRRDQESH-RXVVDRJESA-N 1 3 337.511 3.936 20 30 EHEDHO C=C(C)COCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183338526 1125529814 /nfs/dbraw/zinc/52/98/14/1125529814.db2.gz DOINQAWBEDWXSG-GOSISDBHSA-N 1 3 346.515 3.924 20 30 EHEDHO CN(CC#Cc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000192143430 1120718356 /nfs/dbraw/zinc/71/83/56/1120718356.db2.gz SBBLRWTWRFUREN-UHFFFAOYSA-N 1 3 333.479 3.672 20 30 EHEDHO COc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000281720165 1129714800 /nfs/dbraw/zinc/71/48/00/1129714800.db2.gz PCALBSOCBNYFOC-UTKZUKDTSA-N 1 3 349.478 3.567 20 30 EHEDHO C=CC[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000766019119 1129804415 /nfs/dbraw/zinc/80/44/15/1129804415.db2.gz KDOZJEUUFDEUSF-UWJYYQICSA-N 1 3 339.483 3.990 20 30 EHEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000818346998 1136870223 /nfs/dbraw/zinc/87/02/23/1136870223.db2.gz MFZWPMYWPGNRMG-KPFFTGBYSA-N 1 3 346.515 3.779 20 30 EHEDHO CN1C(C)(C)CC([NH2+]CCCOc2ccccc2C#N)CC1(C)C ZINC001171625474 1137501244 /nfs/dbraw/zinc/50/12/44/1137501244.db2.gz IZQQGGIQNGCVAH-UHFFFAOYSA-N 1 3 329.488 3.568 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172308277 1137545710 /nfs/dbraw/zinc/54/57/10/1137545710.db2.gz JMHVRUWXGIOQGA-RXVVDRJESA-N 1 3 337.511 3.900 20 30 EHEDHO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886610879 1138101878 /nfs/dbraw/zinc/10/18/78/1138101878.db2.gz MOKCBHGOYJQKFK-ZCNNSNEGSA-N 1 3 325.500 3.959 20 30 EHEDHO C=C(C)CN1CCC([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274819242 1015428945 /nfs/dbraw/zinc/42/89/45/1015428945.db2.gz BIDOGDPMALNOLV-FPOVZHCZSA-N 1 3 341.543 3.527 20 30 EHEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905099043 1032345807 /nfs/dbraw/zinc/34/58/07/1032345807.db2.gz YHCURLLZPRKWSR-QGZVFWFLSA-N 1 3 343.298 3.657 20 30 EHEDHO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000160473279 1019199414 /nfs/dbraw/zinc/19/94/14/1019199414.db2.gz WEAAIFIDWAPSSG-KRWDZBQOSA-N 1 3 326.484 3.756 20 30 EHEDHO N#CC1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000602665464 1033062983 /nfs/dbraw/zinc/06/29/83/1033062983.db2.gz BZEZAUIKGFXHEP-CKHPTIKVSA-N 1 3 325.500 3.961 20 30 EHEDHO CC(C)(C#N)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000539568774 1036929532 /nfs/dbraw/zinc/92/95/32/1036929532.db2.gz FKAONWTYDAPSSH-VQTJNVASSA-N 1 3 325.500 3.913 20 30 EHEDHO CC(C)(C#N)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000539568774 1036929547 /nfs/dbraw/zinc/92/95/47/1036929547.db2.gz FKAONWTYDAPSSH-VQTJNVASSA-N 1 3 325.500 3.913 20 30 EHEDHO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309789431 1038850422 /nfs/dbraw/zinc/85/04/22/1038850422.db2.gz OGRJWTNTVDLIEM-RDJZCZTQSA-N 1 3 325.481 3.620 20 30 EHEDHO C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000618806659 1128516066 /nfs/dbraw/zinc/51/60/66/1128516066.db2.gz RDFUIRWHHKKTFH-AOMKIAJQSA-N 1 3 349.478 3.837 20 30 EHEDHO C[N@@H+]1CCC[C@H](CNCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276093 1130368833 /nfs/dbraw/zinc/36/88/33/1130368833.db2.gz VHIMSXOBLMBCPN-MJGOQNOKSA-N 1 3 325.481 3.792 20 30 EHEDHO C[N@H+]1CCC[C@H](CNCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276093 1130368841 /nfs/dbraw/zinc/36/88/41/1130368841.db2.gz VHIMSXOBLMBCPN-MJGOQNOKSA-N 1 3 325.481 3.792 20 30 EHEDHO C#CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000769402570 1133278371 /nfs/dbraw/zinc/27/83/71/1133278371.db2.gz KSXLEIRDWJDJMP-QFIPXVFZSA-N 1 3 348.490 3.653 20 30 EHEDHO C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000769402570 1133278375 /nfs/dbraw/zinc/27/83/75/1133278375.db2.gz KSXLEIRDWJDJMP-QFIPXVFZSA-N 1 3 348.490 3.653 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001171195911 1137302081 /nfs/dbraw/zinc/30/20/81/1137302081.db2.gz WFJMRHXDMGOJQJ-UWJYYQICSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@@H](Cc1cccc(C#N)c1)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001171195911 1137302084 /nfs/dbraw/zinc/30/20/84/1137302084.db2.gz WFJMRHXDMGOJQJ-UWJYYQICSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001171204309 1137324905 /nfs/dbraw/zinc/32/49/05/1137324905.db2.gz VMTNSJHESMCSIF-MOPGFXCFSA-N 1 3 337.511 3.900 20 30 EHEDHO C[C@H](Cc1cccc(C#N)c1)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001171204309 1137324907 /nfs/dbraw/zinc/32/49/07/1137324907.db2.gz VMTNSJHESMCSIF-MOPGFXCFSA-N 1 3 337.511 3.900 20 30 EHEDHO C#CCCC1(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975858 1137525321 /nfs/dbraw/zinc/52/53/21/1137525321.db2.gz GTVANLZZRNPTDA-LJQANCHMSA-N 1 3 338.499 3.985 20 30 EHEDHO C#CCCC1(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975858 1137525323 /nfs/dbraw/zinc/52/53/23/1137525323.db2.gz GTVANLZZRNPTDA-LJQANCHMSA-N 1 3 338.499 3.985 20 30 EHEDHO CN(CCCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311978 1137743966 /nfs/dbraw/zinc/74/39/66/1137743966.db2.gz ZOPIHRCNCDTRLK-UAFMIMERSA-N 1 3 330.520 3.795 20 30 EHEDHO CN(CCCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311978 1137743967 /nfs/dbraw/zinc/74/39/67/1137743967.db2.gz ZOPIHRCNCDTRLK-UAFMIMERSA-N 1 3 330.520 3.795 20 30 EHEDHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000180543011 1139843724 /nfs/dbraw/zinc/84/37/24/1139843724.db2.gz SQIBGNZOASJPOW-INIZCTEOSA-N 1 3 327.472 3.647 20 30 EHEDHO C[NH+](C)Cc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000237059488 1018923582 /nfs/dbraw/zinc/92/35/82/1018923582.db2.gz AMVWXOXVFRRMGV-UHFFFAOYSA-N 1 3 337.467 3.721 20 30 EHEDHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120669399 1019377704 /nfs/dbraw/zinc/37/77/04/1019377704.db2.gz JFGSBOZLOIGPQN-UHFFFAOYSA-N 1 3 329.488 3.511 20 30 EHEDHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120669399 1019377722 /nfs/dbraw/zinc/37/77/22/1019377722.db2.gz JFGSBOZLOIGPQN-UHFFFAOYSA-N 1 3 329.488 3.511 20 30 EHEDHO C=C(C)COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OC ZINC000092381377 1023398723 /nfs/dbraw/zinc/39/87/23/1023398723.db2.gz VSEIUYCBYQTSOV-UHFFFAOYSA-N 1 3 346.515 3.814 20 30 EHEDHO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000613256192 1035478440 /nfs/dbraw/zinc/47/84/40/1035478440.db2.gz QREOVRHFPRPMMG-CDJZJNNCSA-N 1 3 337.511 3.959 20 30 EHEDHO CC(C)(C#N)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000539568766 1036929701 /nfs/dbraw/zinc/92/97/01/1036929701.db2.gz FKAONWTYDAPSSH-PMACEKPBSA-N 1 3 325.500 3.913 20 30 EHEDHO CC(C)(C#N)CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000539568766 1036929720 /nfs/dbraw/zinc/92/97/20/1036929720.db2.gz FKAONWTYDAPSSH-PMACEKPBSA-N 1 3 325.500 3.913 20 30 EHEDHO C[NH+](C)Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000271930264 1037823287 /nfs/dbraw/zinc/82/32/87/1037823287.db2.gz HTYKDKOBTQTZRU-UHFFFAOYSA-N 1 3 348.494 3.696 20 30 EHEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000586780271 1041016020 /nfs/dbraw/zinc/01/60/20/1041016020.db2.gz MRXIBBRCVCBQMU-QHCPKHFHSA-N 1 3 345.490 3.965 20 30 EHEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000586780271 1041016038 /nfs/dbraw/zinc/01/60/38/1041016038.db2.gz MRXIBBRCVCBQMU-QHCPKHFHSA-N 1 3 345.490 3.965 20 30 EHEDHO CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(C[NH+](C)C)c2)c([O-])c1 ZINC000914702172 1120956181 /nfs/dbraw/zinc/95/61/81/1120956181.db2.gz YEPREHBEYHIJET-PXLXIMEGSA-N 1 3 339.483 3.919 20 30 EHEDHO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)C1 ZINC001199336425 1135895909 /nfs/dbraw/zinc/89/59/09/1135895909.db2.gz OIZNTKLVXCCDMK-DENIHFKCSA-N 1 3 341.543 3.659 20 30 EHEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172308271 1137545678 /nfs/dbraw/zinc/54/56/78/1137545678.db2.gz JMHVRUWXGIOQGA-GHTZIAJQSA-N 1 3 337.511 3.900 20 30 EHEDHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C#N)c(OC)c1 ZINC000281589633 1025267715 /nfs/dbraw/zinc/26/77/15/1025267715.db2.gz DYWNPSPKVSIQSH-UHFFFAOYSA-N 1 3 337.467 3.698 20 30 EHEDHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(C#N)cc2)CC1 ZINC000595055180 1033631830 /nfs/dbraw/zinc/63/18/30/1033631830.db2.gz ACDHFYLYWVSGSL-LAUBAEHRSA-N 1 3 325.500 3.733 20 30 EHEDHO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000272231035 1121104373 /nfs/dbraw/zinc/10/43/73/1121104373.db2.gz UQBUMHWOEFXPTH-YLJYHZDGSA-N 1 3 349.478 3.567 20 30 EHEDHO CCCN1C[C@@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398371 1134765519 /nfs/dbraw/zinc/76/55/19/1134765519.db2.gz PDHNWEVDIJVQIZ-IVCWUUCSSA-N 1 3 337.511 3.664 20 30 EHEDHO CCCN1C[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398371 1134765524 /nfs/dbraw/zinc/76/55/24/1134765524.db2.gz PDHNWEVDIJVQIZ-IVCWUUCSSA-N 1 3 337.511 3.664 20 30 EHEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886605093 1138100988 /nfs/dbraw/zinc/10/09/88/1138100988.db2.gz JKWNIWDTYNXRAF-MNVIUDHYSA-N 1 3 340.511 3.610 20 30 EHEDHO C=CCC1([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOCC1 ZINC000895260018 1024139248 /nfs/dbraw/zinc/13/92/48/1024139248.db2.gz NQFLJAZZSZGVQC-ACRUOGEOSA-N 1 3 340.511 3.754 20 30 EHEDHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2cccc(C#N)c2)CC1 ZINC000467447579 1025638434 /nfs/dbraw/zinc/63/84/34/1025638434.db2.gz ASTJCDMMHLWZGF-DYESRHJHSA-N 1 3 325.500 3.733 20 30 EHEDHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000532207142 1030461416 /nfs/dbraw/zinc/46/14/16/1030461416.db2.gz XGFWYJMFLFOISU-SJORKVTESA-N 1 3 337.467 3.910 20 30 EHEDHO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000532207141 1030462461 /nfs/dbraw/zinc/46/24/61/1030462461.db2.gz XGFWYJMFLFOISU-IRXDYDNUSA-N 1 3 337.467 3.910 20 30 EHEDHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc(C#N)cc3)CC2)C1 ZINC000595056763 1033634908 /nfs/dbraw/zinc/63/49/08/1033634908.db2.gz WAEPCBSTEXIMDG-DYESRHJHSA-N 1 3 325.500 3.733 20 30 EHEDHO N#CCc1ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000398997728 1036606911 /nfs/dbraw/zinc/60/69/11/1036606911.db2.gz QQECZSSPIGDBPY-DHIUTWEWSA-N 1 3 345.490 3.707 20 30 EHEDHO N#CCc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000398997728 1036606917 /nfs/dbraw/zinc/60/69/17/1036606917.db2.gz QQECZSSPIGDBPY-DHIUTWEWSA-N 1 3 345.490 3.707 20 30 EHEDHO N#CCC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001173327683 1132047815 /nfs/dbraw/zinc/04/78/15/1132047815.db2.gz FNZYRHATDNWRGN-NNRACAPJSA-N 1 3 337.511 3.959 20 30 EHEDHO C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738602 1135882673 /nfs/dbraw/zinc/88/26/73/1135882673.db2.gz AZHNNKHRUKIUEI-QGZVFWFLSA-N 1 3 337.467 3.671 20 30 EHEDHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 ZINC000866617123 1137369775 /nfs/dbraw/zinc/36/97/75/1137369775.db2.gz FMGFDRYTPZXWLC-XGRCMKMKSA-N 1 3 337.511 3.658 20 30 EHEDHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000825916440 1137662526 /nfs/dbraw/zinc/66/25/26/1137662526.db2.gz OEVIFNJYPMGMAB-UHFFFAOYSA-N 1 3 333.479 3.935 20 30 EHEDHO