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[NH2+]C[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1O ZINC000062580376 205291553 /nfs/dbraw/zinc/29/15/53/205291553.db2.gz CWFAQKYDNAGZGW-KRWDZBQOSA-N 2 2 360.523 4.025 50 0 FIAALP Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CCNc2cc(C)cc[nH+]2)[nH+]1 ZINC000065395936 205345010 /nfs/dbraw/zinc/34/50/10/205345010.db2.gz JHOZDGGVMYCVFO-UHFFFAOYSA-N 2 2 358.449 4.064 50 0 FIAALP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br ZINC000022777823 206392458 /nfs/dbraw/zinc/39/24/58/206392458.db2.gz UYRDBXOCKKMCNB-CQSZACIVSA-N 2 2 356.267 4.486 50 0 FIAALP CC(C)c1cccc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)[nH+]1 ZINC000091620003 132202464 /nfs/dbraw/zinc/20/24/64/132202464.db2.gz UCONNKUSRIIQHS-UHFFFAOYSA-N 2 2 367.522 4.290 50 0 FIAALP Cc1ccc(-c2ccc(N3CCC([NH2+]CCc4c[nH]c[nH+]4)CC3)cc2)cc1 ZINC000023541765 136153084 /nfs/dbraw/zinc/15/30/84/136153084.db2.gz IHWMOQUCCUVXEQ-UHFFFAOYSA-N 2 2 360.505 4.186 50 0 FIAALP Cc1ccc(-c2ccc(N3CCC([NH2+]CCc4c[nH+]c[nH]4)CC3)cc2)cc1 ZINC000023541765 136153085 /nfs/dbraw/zinc/15/30/85/136153085.db2.gz IHWMOQUCCUVXEQ-UHFFFAOYSA-N 2 2 360.505 4.186 50 0 FIAALP Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000089583141 525275514 /nfs/dbraw/zinc/27/55/14/525275514.db2.gz RMPMKFCEOSREAL-LJQANCHMSA-N 2 2 353.491 4.090 50 0 FIAALP c1coc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCCCC2)c1 ZINC000154000567 526570277 /nfs/dbraw/zinc/57/02/77/526570277.db2.gz XJLCLZLVFAWBOQ-OAQYLSRUSA-N 2 2 359.558 4.193 50 0 FIAALP CCCCn1cc[nH+]c1C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000091964679 570443578 /nfs/dbraw/zinc/44/35/78/570443578.db2.gz LWWOCGVOBMMBRA-UHFFFAOYSA-N 2 2 363.509 4.249 50 0 FIAALP c1cn(CCC[NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)c[nH+]1 ZINC000019114306 570880296 /nfs/dbraw/zinc/88/02/96/570880296.db2.gz FCVLYOYDLNOEHK-UHFFFAOYSA-N 2 2 357.461 4.120 50 0 FIAALP Clc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000020065854 570909353 /nfs/dbraw/zinc/90/93/53/570909353.db2.gz JXIAHRIVPHUJDB-UHFFFAOYSA-N 2 2 369.940 4.127 50 0 FIAALP C[N@@H+]1CCc2c(sc3c2C[NH2+][C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000020865001 570926157 /nfs/dbraw/zinc/92/61/57/570926157.db2.gz UCCWAWCERYEXCM-IBGZPJMESA-N 2 2 369.921 4.373 50 0 FIAALP C[N@H+]1CCc2c(sc3c2C[NH2+][C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000020865001 570926159 /nfs/dbraw/zinc/92/61/59/570926159.db2.gz UCCWAWCERYEXCM-IBGZPJMESA-N 2 2 369.921 4.373 50 0 FIAALP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(C)c1OC(F)F ZINC000095468638 571330546 /nfs/dbraw/zinc/33/05/46/571330546.db2.gz GCICORIQJIFEIU-MRXNPFEDSA-N 2 2 363.452 4.093 50 0 FIAALP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(C)c1OC(F)F ZINC000095468638 571330547 /nfs/dbraw/zinc/33/05/47/571330547.db2.gz GCICORIQJIFEIU-MRXNPFEDSA-N 2 2 363.452 4.093 50 0 FIAALP CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(F)cc3)[nH+]c21 ZINC000008462958 204332010 /nfs/dbraw/zinc/33/20/10/204332010.db2.gz IFKJVJZEQLROJF-UHFFFAOYSA-N 2 2 350.441 4.437 50 0 FIAALP C[C@H](c1nccs1)[N@H+](C)Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000055308066 205214322 /nfs/dbraw/zinc/21/43/22/205214322.db2.gz FYGFHZALJONDRQ-QGZVFWFLSA-N 2 2 370.522 4.392 50 0 FIAALP C[C@H](c1nccs1)[N@@H+](C)Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000055308066 205214324 /nfs/dbraw/zinc/21/43/24/205214324.db2.gz FYGFHZALJONDRQ-QGZVFWFLSA-N 2 2 370.522 4.392 50 0 FIAALP CC(C)c1cccc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH+]1 ZINC000091390683 132201041 /nfs/dbraw/zinc/20/10/41/132201041.db2.gz LCNJBJSICODQTN-IBGZPJMESA-N 2 2 361.493 4.229 50 0 FIAALP c1cn(Cc2ccccn2)c(C2CCN(c3[nH+]ccc4ccccc43)CC2)[nH+]1 ZINC000091452455 132201907 /nfs/dbraw/zinc/20/19/07/132201907.db2.gz MVUMAGMBOBGJEO-UHFFFAOYSA-N 2 2 369.472 4.259 50 0 FIAALP CC(C)c1cccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)[nH+]1 ZINC000091645298 519841453 /nfs/dbraw/zinc/84/14/53/519841453.db2.gz OJOJNJMGTXAJMR-IBGZPJMESA-N 2 2 361.493 4.229 50 0 FIAALP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000019789883 526750982 /nfs/dbraw/zinc/75/09/82/526750982.db2.gz SPJGISMCBUWCBS-QGZVFWFLSA-N 2 2 356.495 4.353 50 0 FIAALP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000019789883 526750987 /nfs/dbraw/zinc/75/09/87/526750987.db2.gz SPJGISMCBUWCBS-QGZVFWFLSA-N 2 2 356.495 4.353 50 0 FIAALP Cc1ncsc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082137396 527502257 /nfs/dbraw/zinc/50/22/57/527502257.db2.gz QOKPEIZQQAGTGG-SFHVURJKSA-N 2 2 352.507 4.076 50 0 FIAALP Cc1ncsc1C[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082137396 527502258 /nfs/dbraw/zinc/50/22/58/527502258.db2.gz QOKPEIZQQAGTGG-SFHVURJKSA-N 2 2 352.507 4.076 50 0 FIAALP CCn1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1C ZINC000014966449 568278323 /nfs/dbraw/zinc/27/83/23/568278323.db2.gz BIZPLUFECWEKSC-JOCHJYFZSA-N 2 2 358.574 4.080 50 0 FIAALP CCn1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1C ZINC000014966449 568278324 /nfs/dbraw/zinc/27/83/24/568278324.db2.gz BIZPLUFECWEKSC-JOCHJYFZSA-N 2 2 358.574 4.080 50 0 FIAALP CCn1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)c1C ZINC000014966449 568278326 /nfs/dbraw/zinc/27/83/26/568278326.db2.gz BIZPLUFECWEKSC-JOCHJYFZSA-N 2 2 358.574 4.080 50 0 FIAALP CCn1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1C ZINC000014966449 568278327 /nfs/dbraw/zinc/27/83/27/568278327.db2.gz BIZPLUFECWEKSC-JOCHJYFZSA-N 2 2 358.574 4.080 50 0 FIAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000095383208 570459767 /nfs/dbraw/zinc/45/97/67/570459767.db2.gz AZKDBUJXKKYHPD-HXUWFJFHSA-N 2 2 363.509 4.249 50 0 FIAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000095383208 570459772 /nfs/dbraw/zinc/45/97/72/570459772.db2.gz AZKDBUJXKKYHPD-HXUWFJFHSA-N 2 2 363.509 4.249 50 0 FIAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000023303148 570461411 /nfs/dbraw/zinc/46/14/11/570461411.db2.gz RXAFXGBWGRWNEC-GOSISDBHSA-N 2 2 371.912 4.166 50 0 FIAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000023303148 570461412 /nfs/dbraw/zinc/46/14/12/570461412.db2.gz RXAFXGBWGRWNEC-GOSISDBHSA-N 2 2 371.912 4.166 50 0 FIAALP CCCCc1[nH]c(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)c[nH+]1 ZINC000095517073 570466486 /nfs/dbraw/zinc/46/64/86/570466486.db2.gz IDHUIVJDSRWMFA-HXUWFJFHSA-N 2 2 366.553 4.206 50 0 FIAALP CCCCc1[nH]c(CN2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)c[nH+]1 ZINC000095517073 570466488 /nfs/dbraw/zinc/46/64/88/570466488.db2.gz IDHUIVJDSRWMFA-HXUWFJFHSA-N 2 2 366.553 4.206 50 0 FIAALP CCCCc1[nH]cc(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)[nH+]1 ZINC000095517073 570466491 /nfs/dbraw/zinc/46/64/91/570466491.db2.gz IDHUIVJDSRWMFA-HXUWFJFHSA-N 2 2 366.553 4.206 50 0 FIAALP CCCCc1[nH]cc(CN2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)[nH+]1 ZINC000095517073 570466492 /nfs/dbraw/zinc/46/64/92/570466492.db2.gz IDHUIVJDSRWMFA-HXUWFJFHSA-N 2 2 366.553 4.206 50 0 FIAALP C[N@H+](Cc1cc(-c2ccccn2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000097360096 570486930 /nfs/dbraw/zinc/48/69/30/570486930.db2.gz ZMUPMFGPCOFQGD-UHFFFAOYSA-N 2 2 368.506 4.026 50 0 FIAALP C[N@@H+](Cc1cc(-c2ccccn2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000097360096 570486933 /nfs/dbraw/zinc/48/69/33/570486933.db2.gz ZMUPMFGPCOFQGD-UHFFFAOYSA-N 2 2 368.506 4.026 50 0 FIAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000012446089 570746535 /nfs/dbraw/zinc/74/65/35/570746535.db2.gz KLBABEDQADAVDY-IBGZPJMESA-N 2 2 363.465 4.224 50 0 FIAALP C[NH+](C)CC[NH2+]CC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000020572787 570919669 /nfs/dbraw/zinc/91/96/69/570919669.db2.gz IMRVQAZSRCSPTM-LJQANCHMSA-N 2 2 372.475 4.074 50 0 FIAALP c1cn(CCOc2ccccc2C[N@@H+]2CCCC[C@@H]2c2ccccn2)c[nH+]1 ZINC000072166441 571176718 /nfs/dbraw/zinc/17/67/18/571176718.db2.gz SHFUUFJBDGCHHJ-OAQYLSRUSA-N 2 2 362.477 4.084 50 0 FIAALP c1cn(CCOc2ccccc2C[N@H+]2CCCC[C@@H]2c2ccccn2)c[nH+]1 ZINC000072166441 571176719 /nfs/dbraw/zinc/17/67/19/571176719.db2.gz SHFUUFJBDGCHHJ-OAQYLSRUSA-N 2 2 362.477 4.084 50 0 FIAALP Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000089583102 571212651 /nfs/dbraw/zinc/21/26/51/571212651.db2.gz AIUPZBUCRZNWLO-JOCHJYFZSA-N 2 2 365.452 4.168 50 0 FIAALP COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC000067650106 205379558 /nfs/dbraw/zinc/37/95/58/205379558.db2.gz PCGHTVKGGOAXNL-UHFFFAOYSA-N 2 2 372.534 4.021 50 0 FIAALP COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC000067650106 205379562 /nfs/dbraw/zinc/37/95/62/205379562.db2.gz PCGHTVKGGOAXNL-UHFFFAOYSA-N 2 2 372.534 4.021 50 0 FIAALP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)o2)cc1 ZINC000216125193 206356493 /nfs/dbraw/zinc/35/64/93/206356493.db2.gz TUWKWMXPAJVEQO-QGZVFWFLSA-N 2 2 351.450 4.064 50 0 FIAALP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)o2)cc1 ZINC000216125193 206356498 /nfs/dbraw/zinc/35/64/98/206356498.db2.gz TUWKWMXPAJVEQO-QGZVFWFLSA-N 2 2 351.450 4.064 50 0 FIAALP c1cn(Cc2ccccn2)c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH+]1 ZINC000095372607 132208918 /nfs/dbraw/zinc/20/89/18/132208918.db2.gz CJDHZANVOXAECO-GOSISDBHSA-N 2 2 369.472 4.259 50 0 FIAALP c1cn(Cc2cccnc2)c(C2CCN(c3[nH+]ccc4ccccc43)CC2)[nH+]1 ZINC000095500785 132212135 /nfs/dbraw/zinc/21/21/35/132212135.db2.gz RNRWJMILYBISSO-UHFFFAOYSA-N 2 2 369.472 4.259 50 0 FIAALP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cc(F)ccc1F ZINC000095962418 132216414 /nfs/dbraw/zinc/21/64/14/132216414.db2.gz BHDHBRMXRZHIHO-HNNXBMFYSA-N 2 2 359.464 4.350 50 0 FIAALP CN1CC[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1c1ccccc1 ZINC000244678919 523909617 /nfs/dbraw/zinc/90/96/17/523909617.db2.gz IMFKZPTWPYEMSD-QFIPXVFZSA-N 2 2 369.578 4.223 50 0 FIAALP CN1CC[N@@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1c1ccccc1 ZINC000244678919 523909624 /nfs/dbraw/zinc/90/96/24/523909624.db2.gz IMFKZPTWPYEMSD-QFIPXVFZSA-N 2 2 369.578 4.223 50 0 FIAALP C[N@@H+]1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1c1ccccc1 ZINC000244678919 523909628 /nfs/dbraw/zinc/90/96/28/523909628.db2.gz IMFKZPTWPYEMSD-QFIPXVFZSA-N 2 2 369.578 4.223 50 0 FIAALP C[N@H+]1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1c1ccccc1 ZINC000244678919 523909630 /nfs/dbraw/zinc/90/96/30/523909630.db2.gz IMFKZPTWPYEMSD-QFIPXVFZSA-N 2 2 369.578 4.223 50 0 FIAALP c1cn(Cc2cscn2)c(C2CC[NH+](CCCc3ccccc3)CC2)[nH+]1 ZINC000091288561 526537516 /nfs/dbraw/zinc/53/75/16/526537516.db2.gz ZIYVMMUBLIETIN-UHFFFAOYSA-N 2 2 366.534 4.200 50 0 FIAALP C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356145 568546035 /nfs/dbraw/zinc/54/60/35/568546035.db2.gz FGBMBYJJNUFPSZ-AWEZNQCLSA-N 2 2 356.267 4.486 50 0 FIAALP Cc1ccc2nc(C[N@@H+]3CCC[C@@H](c4[nH+]ccn4CC4CCC4)C3)cn2c1 ZINC000095380110 570458229 /nfs/dbraw/zinc/45/82/29/570458229.db2.gz OOYVXJWUFWQGFV-LJQANCHMSA-N 2 2 363.509 4.019 50 0 FIAALP Cc1ccc2nc(C[N@H+]3CCC[C@@H](c4[nH+]ccn4CC4CCC4)C3)cn2c1 ZINC000095380110 570458232 /nfs/dbraw/zinc/45/82/32/570458232.db2.gz OOYVXJWUFWQGFV-LJQANCHMSA-N 2 2 363.509 4.019 50 0 FIAALP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC000095510948 570465531 /nfs/dbraw/zinc/46/55/31/570465531.db2.gz KBFRJHINTROYSH-KRWDZBQOSA-N 2 2 369.513 4.030 50 0 FIAALP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC000095510948 570465534 /nfs/dbraw/zinc/46/55/34/570465534.db2.gz KBFRJHINTROYSH-KRWDZBQOSA-N 2 2 369.513 4.030 50 0 FIAALP COc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1C[NH+]1CCCC1 ZINC000097655521 570492166 /nfs/dbraw/zinc/49/21/66/570492166.db2.gz OEFZVTOBNCKUGW-OAQYLSRUSA-N 2 2 354.469 4.377 50 0 FIAALP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1nc(-c3ccco3)no1)C1CCCCC1)C2 ZINC000101766124 570513288 /nfs/dbraw/zinc/51/32/88/570513288.db2.gz ZMJLLDQMRLPGMW-PIIMJCKOSA-N 2 2 370.497 4.090 50 0 FIAALP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1nc(-c3ccco3)no1)C1CCCCC1)C2 ZINC000101766124 570513290 /nfs/dbraw/zinc/51/32/90/570513290.db2.gz ZMJLLDQMRLPGMW-PIIMJCKOSA-N 2 2 370.497 4.090 50 0 FIAALP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1nc(-c3ccco3)no1)C1CCCCC1)C2 ZINC000101766124 570513291 /nfs/dbraw/zinc/51/32/91/570513291.db2.gz ZMJLLDQMRLPGMW-PIIMJCKOSA-N 2 2 370.497 4.090 50 0 FIAALP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1nc(-c3ccco3)no1)C1CCCCC1)C2 ZINC000101766124 570513293 /nfs/dbraw/zinc/51/32/93/570513293.db2.gz ZMJLLDQMRLPGMW-PIIMJCKOSA-N 2 2 370.497 4.090 50 0 FIAALP Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(C)[nH+]1 ZINC000299803049 571203806 /nfs/dbraw/zinc/20/38/06/571203806.db2.gz VNORAMBQOSKQBI-FQEVSTJZSA-N 2 2 366.509 4.437 50 0 FIAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000010314010 204394341 /nfs/dbraw/zinc/39/43/41/204394341.db2.gz YXZACMVFPBVIEK-UHFFFAOYSA-N 2 2 365.477 4.041 50 0 FIAALP C[C@@H](c1nccs1)[N@H+](C)Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000055308063 205215044 /nfs/dbraw/zinc/21/50/44/205215044.db2.gz FYGFHZALJONDRQ-KRWDZBQOSA-N 2 2 370.522 4.392 50 0 FIAALP C[C@@H](c1nccs1)[N@@H+](C)Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000055308063 205215048 /nfs/dbraw/zinc/21/50/48/205215048.db2.gz FYGFHZALJONDRQ-KRWDZBQOSA-N 2 2 370.522 4.392 50 0 FIAALP CC(C)c1noc([C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000215419642 206346846 /nfs/dbraw/zinc/34/68/46/206346846.db2.gz PUAHRKHOEIRKRU-GOSISDBHSA-N 2 2 351.454 4.106 50 0 FIAALP CC(C)c1noc([C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000215419642 206346850 /nfs/dbraw/zinc/34/68/50/206346850.db2.gz PUAHRKHOEIRKRU-GOSISDBHSA-N 2 2 351.454 4.106 50 0 FIAALP C[N@@H+](Cc1cccnc1)C[C@@H]1CCCN(c2[nH+]ccc3ccsc32)C1 ZINC000328592756 132371437 /nfs/dbraw/zinc/37/14/37/132371437.db2.gz MVHAMHVVNZVGGD-KRWDZBQOSA-N 2 2 352.507 4.040 50 0 FIAALP C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(c2[nH+]ccc3ccsc32)C1 ZINC000328592756 132371438 /nfs/dbraw/zinc/37/14/38/132371438.db2.gz MVHAMHVVNZVGGD-KRWDZBQOSA-N 2 2 352.507 4.040 50 0 FIAALP Clc1cccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000000757911 132378357 /nfs/dbraw/zinc/37/83/57/132378357.db2.gz CLQAYTJGUAINAW-UHFFFAOYSA-N 2 2 369.940 4.127 50 0 FIAALP CCCCn1cc[nH+]c1C1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000091474734 521394458 /nfs/dbraw/zinc/39/44/58/521394458.db2.gz IWGAPCKWPFOOQI-UHFFFAOYSA-N 2 2 374.573 4.092 50 0 FIAALP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000381071777 570523988 /nfs/dbraw/zinc/52/39/88/570523988.db2.gz PMVUKWUXUVWXEP-ZEQRLZLVSA-N 2 2 358.485 4.192 50 0 FIAALP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000381071777 570523993 /nfs/dbraw/zinc/52/39/93/570523993.db2.gz PMVUKWUXUVWXEP-ZEQRLZLVSA-N 2 2 358.485 4.192 50 0 FIAALP C[NH+](C)CC[NH2+]CC[C@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000020572789 570919592 /nfs/dbraw/zinc/91/95/92/570919592.db2.gz IMRVQAZSRCSPTM-IBGZPJMESA-N 2 2 372.475 4.074 50 0 FIAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000244695639 571114267 /nfs/dbraw/zinc/11/42/67/571114267.db2.gz JPRZLMUYTOFZAQ-OAHLLOKOSA-N 2 2 355.511 4.295 50 0 FIAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000244695639 571114269 /nfs/dbraw/zinc/11/42/69/571114269.db2.gz JPRZLMUYTOFZAQ-OAHLLOKOSA-N 2 2 355.511 4.295 50 0 FIAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000077319936 571207155 /nfs/dbraw/zinc/20/71/55/571207155.db2.gz GLYZHKCKDAZMIP-LJQANCHMSA-N 2 2 350.466 4.062 50 0 FIAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000077319936 571207158 /nfs/dbraw/zinc/20/71/58/571207158.db2.gz GLYZHKCKDAZMIP-LJQANCHMSA-N 2 2 350.466 4.062 50 0 FIAALP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077506035 571214366 /nfs/dbraw/zinc/21/43/66/571214366.db2.gz VMEVWKVACZYXPF-INIZCTEOSA-N 2 2 356.495 4.353 50 0 FIAALP Cc1oc(-c2cccs2)nc1C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077506035 571214367 /nfs/dbraw/zinc/21/43/67/571214367.db2.gz VMEVWKVACZYXPF-INIZCTEOSA-N 2 2 356.495 4.353 50 0 FIAALP Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000097082217 571231528 /nfs/dbraw/zinc/23/15/28/571231528.db2.gz PITJSIYFBMZVMN-HNNXBMFYSA-N 2 2 368.868 4.123 50 0 FIAALP COc1ccc(OC)c(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000048314448 205158719 /nfs/dbraw/zinc/15/87/19/205158719.db2.gz UHZJKAMGCZZMMF-UHFFFAOYSA-N 2 2 374.912 4.111 50 0 FIAALP COc1cc(-c2cccs2)cc2c1OCC[N@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000067714542 205385360 /nfs/dbraw/zinc/38/53/60/205385360.db2.gz PAKAFSDOOTZWIZ-SFHVURJKSA-N 2 2 372.534 4.102 50 0 FIAALP COc1cc(-c2cccs2)cc2c1OCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000067714542 205385365 /nfs/dbraw/zinc/38/53/65/205385365.db2.gz PAKAFSDOOTZWIZ-SFHVURJKSA-N 2 2 372.534 4.102 50 0 FIAALP COc1cc(-c2cccs2)cc2c1OCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000067714542 205385369 /nfs/dbraw/zinc/38/53/69/205385369.db2.gz PAKAFSDOOTZWIZ-SFHVURJKSA-N 2 2 372.534 4.102 50 0 FIAALP COc1cc(-c2cccs2)cc2c1OCC[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC000067714542 205385373 /nfs/dbraw/zinc/38/53/73/205385373.db2.gz PAKAFSDOOTZWIZ-SFHVURJKSA-N 2 2 372.534 4.102 50 0 FIAALP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Cl)cc2Br)CC1 ZINC000170591374 206269945 /nfs/dbraw/zinc/26/99/45/206269945.db2.gz QUXYRFJDCUOTCN-UHFFFAOYSA-N 2 2 357.723 4.163 50 0 FIAALP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Cl)cc2Br)CC1 ZINC000170591374 206269949 /nfs/dbraw/zinc/26/99/49/206269949.db2.gz QUXYRFJDCUOTCN-UHFFFAOYSA-N 2 2 357.723 4.163 50 0 FIAALP c1csc([C@H]2CCCC[N@H+]2Cc2ccc(OCCn3cc[nH+]c3)cc2)n1 ZINC000215088709 206344219 /nfs/dbraw/zinc/34/42/19/206344219.db2.gz IKICTEOSSUWEKS-LJQANCHMSA-N 2 2 368.506 4.146 50 0 FIAALP c1csc([C@H]2CCCC[N@@H+]2Cc2ccc(OCCn3cc[nH+]c3)cc2)n1 ZINC000215088709 206344225 /nfs/dbraw/zinc/34/42/25/206344225.db2.gz IKICTEOSSUWEKS-LJQANCHMSA-N 2 2 368.506 4.146 50 0 FIAALP Fc1ccc([C@H]2CC[N@@H+]2Cc2cccc(OCCCn3cc[nH+]c3)c2)cc1 ZINC000215920650 206351320 /nfs/dbraw/zinc/35/13/20/206351320.db2.gz QRUYLCDMYBPFHP-JOCHJYFZSA-N 2 2 365.452 4.438 50 0 FIAALP Fc1ccc([C@H]2CC[N@H+]2Cc2cccc(OCCCn3cc[nH+]c3)c2)cc1 ZINC000215920650 206351324 /nfs/dbraw/zinc/35/13/24/206351324.db2.gz QRUYLCDMYBPFHP-JOCHJYFZSA-N 2 2 365.452 4.438 50 0 FIAALP Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2OCCC[NH+](C)C)no1 ZINC000215921587 206352775 /nfs/dbraw/zinc/35/27/75/206352775.db2.gz OARVBRJVJBUGDP-HXUWFJFHSA-N 2 2 357.498 4.041 50 0 FIAALP Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2OCCC[NH+](C)C)no1 ZINC000215921587 206352776 /nfs/dbraw/zinc/35/27/76/206352776.db2.gz OARVBRJVJBUGDP-HXUWFJFHSA-N 2 2 357.498 4.041 50 0 FIAALP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cc(F)ccc1F ZINC000095962419 132216592 /nfs/dbraw/zinc/21/65/92/132216592.db2.gz BHDHBRMXRZHIHO-OAHLLOKOSA-N 2 2 359.464 4.350 50 0 FIAALP CCn1cc[nH+]c1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000091444967 523523645 /nfs/dbraw/zinc/52/36/45/523523645.db2.gz HZAJJBVTVJFYOT-UHFFFAOYSA-N 2 2 353.388 4.181 50 0 FIAALP Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000089583137 525272822 /nfs/dbraw/zinc/27/28/22/525272822.db2.gz RMPMKFCEOSREAL-IBGZPJMESA-N 2 2 353.491 4.090 50 0 FIAALP Cc1ccccc1-c1ncc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)s1 ZINC000215240023 568059665 /nfs/dbraw/zinc/05/96/65/568059665.db2.gz VEFBWSTYRQURCV-UHFFFAOYSA-N 2 2 352.507 4.227 50 0 FIAALP CSCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000011955988 570603007 /nfs/dbraw/zinc/60/30/07/570603007.db2.gz YSSSPJPEGWRPCI-LJQANCHMSA-N 2 2 354.510 4.006 50 0 FIAALP CSCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000011955988 570603011 /nfs/dbraw/zinc/60/30/11/570603011.db2.gz YSSSPJPEGWRPCI-LJQANCHMSA-N 2 2 354.510 4.006 50 0 FIAALP CSCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011955988 570603016 /nfs/dbraw/zinc/60/30/16/570603016.db2.gz YSSSPJPEGWRPCI-LJQANCHMSA-N 2 2 354.510 4.006 50 0 FIAALP CSCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011955988 570603018 /nfs/dbraw/zinc/60/30/18/570603018.db2.gz YSSSPJPEGWRPCI-LJQANCHMSA-N 2 2 354.510 4.006 50 0 FIAALP CCN(CC)c1[nH+]c(C)cc(C)c1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000071766956 571107106 /nfs/dbraw/zinc/10/71/06/571107106.db2.gz GEIHUAOLTJAKOK-UHFFFAOYSA-N 2 2 368.569 4.108 50 0 FIAALP CC(C)[C@H]1CN(Cc2c[nH+]cn2C(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071523733 571162524 /nfs/dbraw/zinc/16/25/24/571162524.db2.gz MAJAASZAENFQTR-JOCHJYFZSA-N 2 2 372.532 4.336 50 0 FIAALP CC(C)[C@H]1CN(Cc2c[nH+]cn2C(C)C)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071523733 571162527 /nfs/dbraw/zinc/16/25/27/571162527.db2.gz MAJAASZAENFQTR-JOCHJYFZSA-N 2 2 372.532 4.336 50 0 FIAALP c1sc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1C[NH+]1CCCC1 ZINC000077555201 571215327 /nfs/dbraw/zinc/21/53/27/571215327.db2.gz YRMWCYQTPAFJCS-IBGZPJMESA-N 3 2 361.599 4.042 50 0 FIAALP c1sc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1C[NH+]1CCCC1 ZINC000077555201 571215329 /nfs/dbraw/zinc/21/53/29/571215329.db2.gz YRMWCYQTPAFJCS-IBGZPJMESA-N 3 2 361.599 4.042 50 0 FIAALP Fc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C3Cc4ccccc4C3)C2)C1 ZINC000011818181 1125151615 /nfs/dbraw/zinc/15/16/15/1125151615.db2.gz DEPUZRWFKRGPKH-XMMPIXPASA-N 2 2 364.508 4.281 50 0 FIAALP Fc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](C3Cc4ccccc4C3)C2)C1 ZINC000011818181 1125151623 /nfs/dbraw/zinc/15/16/23/1125151623.db2.gz DEPUZRWFKRGPKH-XMMPIXPASA-N 2 2 364.508 4.281 50 0 FIAALP Fc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C3Cc4ccccc4C3)C2)C1 ZINC000011818181 1125151634 /nfs/dbraw/zinc/15/16/34/1125151634.db2.gz DEPUZRWFKRGPKH-XMMPIXPASA-N 2 2 364.508 4.281 50 0 FIAALP Fc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](C3Cc4ccccc4C3)C2)C1 ZINC000011818181 1125151642 /nfs/dbraw/zinc/15/16/42/1125151642.db2.gz DEPUZRWFKRGPKH-XMMPIXPASA-N 2 2 364.508 4.281 50 0 FIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cn1 ZINC000180033675 206311212 /nfs/dbraw/zinc/31/12/12/206311212.db2.gz PPFMCNIPUWSJCH-FQEVSTJZSA-N 2 2 352.869 4.470 50 0 FIAALP C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000215333147 206346136 /nfs/dbraw/zinc/34/61/36/206346136.db2.gz KAZKFVDSPJVIBG-HSZRJFAPSA-N 3 2 360.505 4.271 50 0 FIAALP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000215333147 206346139 /nfs/dbraw/zinc/34/61/39/206346139.db2.gz KAZKFVDSPJVIBG-HSZRJFAPSA-N 3 2 360.505 4.271 50 0 FIAALP c1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)sc1C[NH+]1CCCC1 ZINC000216136460 206355640 /nfs/dbraw/zinc/35/56/40/206355640.db2.gz GXOGXSDBUVIETG-UHFFFAOYSA-N 2 2 351.519 4.384 50 0 FIAALP c1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)sc1C[NH+]1CCCC1 ZINC000216136460 206355643 /nfs/dbraw/zinc/35/56/43/206355643.db2.gz GXOGXSDBUVIETG-UHFFFAOYSA-N 2 2 351.519 4.384 50 0 FIAALP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000022783964 206392059 /nfs/dbraw/zinc/39/20/59/206392059.db2.gz XJCNDGXHTKEXLE-CQSZACIVSA-N 2 2 356.267 4.486 50 0 FIAALP c1cn(Cc2cccnc2)c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH+]1 ZINC000092066354 132206159 /nfs/dbraw/zinc/20/61/59/132206159.db2.gz YZVBYMIENDWIRJ-IBGZPJMESA-N 2 2 369.472 4.259 50 0 FIAALP [NH3+]CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000015442641 560230256 /nfs/dbraw/zinc/23/02/56/560230256.db2.gz WZPAUNPMGPHBHT-UHFFFAOYSA-N 2 2 353.469 4.225 50 0 in-vitro FIAALP C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356286 568546224 /nfs/dbraw/zinc/54/62/24/568546224.db2.gz ZTKHMJOFQKNSIT-AWEZNQCLSA-N 2 2 356.267 4.486 50 0 FIAALP CCc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703454 570601901 /nfs/dbraw/zinc/60/19/01/570601901.db2.gz KJWZTUHBTHRVPO-UHFFFAOYSA-N 2 2 363.549 4.036 50 0 FIAALP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(F)c2F)C3)n1 ZINC000015062811 570830384 /nfs/dbraw/zinc/83/03/84/570830384.db2.gz TVRZZQXGHYMUBK-QFIPXVFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(F)c2F)C3)n1 ZINC000015062811 570830390 /nfs/dbraw/zinc/83/03/90/570830390.db2.gz TVRZZQXGHYMUBK-QFIPXVFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)n1 ZINC000015062811 570830395 /nfs/dbraw/zinc/83/03/95/570830395.db2.gz TVRZZQXGHYMUBK-QFIPXVFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)n1 ZINC000015062811 570830402 /nfs/dbraw/zinc/83/04/02/570830402.db2.gz TVRZZQXGHYMUBK-QFIPXVFZSA-N 2 2 371.475 4.156 50 0 FIAALP C[N@@H+]1CCc2c(sc3c2C[NH2+][C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000020865003 570926127 /nfs/dbraw/zinc/92/61/27/570926127.db2.gz UCCWAWCERYEXCM-LJQANCHMSA-N 2 2 369.921 4.373 50 0 FIAALP C[N@H+]1CCc2c(sc3c2C[NH2+][C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000020865003 570926129 /nfs/dbraw/zinc/92/61/29/570926129.db2.gz UCCWAWCERYEXCM-LJQANCHMSA-N 2 2 369.921 4.373 50 0 FIAALP Fc1ccc([C@H](c2ccc(C(F)(F)F)cc2)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022099289 570939888 /nfs/dbraw/zinc/93/98/88/570939888.db2.gz LNPSQSBSSAFBPW-SFHVURJKSA-N 2 2 352.375 4.229 50 0 FIAALP Fc1ccc([C@H](c2ccc(C(F)(F)F)cc2)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022099289 570939889 /nfs/dbraw/zinc/93/98/89/570939889.db2.gz LNPSQSBSSAFBPW-SFHVURJKSA-N 2 2 352.375 4.229 50 0 FIAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000244695638 571114388 /nfs/dbraw/zinc/11/43/88/571114388.db2.gz JPRZLMUYTOFZAQ-HNNXBMFYSA-N 2 2 355.511 4.295 50 0 FIAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000244695638 571114390 /nfs/dbraw/zinc/11/43/90/571114390.db2.gz JPRZLMUYTOFZAQ-HNNXBMFYSA-N 2 2 355.511 4.295 50 0 FIAALP c1coc(-c2ncc(C[N@H+]3CCC[C@H](Cc4[nH]c5ccccc5[nH+]4)C3)cn2)c1 ZINC000072147879 571173808 /nfs/dbraw/zinc/17/38/08/571173808.db2.gz QMNARAQPJJIKIB-MRXNPFEDSA-N 2 2 373.460 4.068 50 0 FIAALP c1coc(-c2ncc(C[N@@H+]3CCC[C@H](Cc4[nH]c5ccccc5[nH+]4)C3)cn2)c1 ZINC000072147879 571173809 /nfs/dbraw/zinc/17/38/09/571173809.db2.gz QMNARAQPJJIKIB-MRXNPFEDSA-N 2 2 373.460 4.068 50 0 FIAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000229404293 571177860 /nfs/dbraw/zinc/17/78/60/571177860.db2.gz JAEVPYZXJAIERU-NZQKXSOJSA-N 2 2 364.533 4.160 50 0 FIAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000229404293 571177861 /nfs/dbraw/zinc/17/78/61/571177861.db2.gz JAEVPYZXJAIERU-NZQKXSOJSA-N 2 2 364.533 4.160 50 0 FIAALP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000072428969 571195247 /nfs/dbraw/zinc/19/52/47/571195247.db2.gz BVDQINYHKLAEJD-OAQYLSRUSA-N 2 2 374.912 4.021 50 0 FIAALP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000072428969 571195251 /nfs/dbraw/zinc/19/52/51/571195251.db2.gz BVDQINYHKLAEJD-OAQYLSRUSA-N 2 2 374.912 4.021 50 0 FIAALP Cc1ccc(CCC[NH+]2CCC3(CC[C@H](COc4cc[nH+]cc4)O3)CC2)o1 ZINC000257191950 1121566612 /nfs/dbraw/zinc/56/66/12/1121566612.db2.gz RWTXWLUCZUMVRH-OAQYLSRUSA-N 2 2 370.493 4.008 50 0 FIAALP Fc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC000055090997 205206374 /nfs/dbraw/zinc/20/63/74/205206374.db2.gz YKHDXPZUHKWDLF-GOSISDBHSA-N 2 2 358.423 4.456 50 0 FIAALP Fc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC000055090997 205206378 /nfs/dbraw/zinc/20/63/78/205206378.db2.gz YKHDXPZUHKWDLF-GOSISDBHSA-N 2 2 358.423 4.456 50 0 FIAALP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC000055090997 205206383 /nfs/dbraw/zinc/20/63/83/205206383.db2.gz YKHDXPZUHKWDLF-GOSISDBHSA-N 2 2 358.423 4.456 50 0 FIAALP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC000055090997 205206386 /nfs/dbraw/zinc/20/63/86/205206386.db2.gz YKHDXPZUHKWDLF-GOSISDBHSA-N 2 2 358.423 4.456 50 0 FIAALP Cc1cccc(-c2ncc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cn2)c1 ZINC000055401832 205218253 /nfs/dbraw/zinc/21/82/53/205218253.db2.gz KXTGCNDNNJWBSV-UHFFFAOYSA-N 2 2 372.516 4.206 50 0 FIAALP CCC[C@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1c[nH+]cn1CCOC ZINC000065433135 205349447 /nfs/dbraw/zinc/34/94/47/205349447.db2.gz ZURCSPXNCDDTMB-KRWDZBQOSA-N 2 2 352.482 4.345 50 0 FIAALP C(=C/c1ccco1)\C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000067588697 205376223 /nfs/dbraw/zinc/37/62/23/205376223.db2.gz XNQWMFCESZJKLD-YNYHDPJCSA-N 2 2 350.506 4.323 50 0 FIAALP C(=C/c1ccco1)\C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000067588697 205376228 /nfs/dbraw/zinc/37/62/28/205376228.db2.gz XNQWMFCESZJKLD-YNYHDPJCSA-N 2 2 350.506 4.323 50 0 FIAALP C(=C/c1ccco1)\C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000067588697 205376232 /nfs/dbraw/zinc/37/62/32/205376232.db2.gz XNQWMFCESZJKLD-YNYHDPJCSA-N 2 2 350.506 4.323 50 0 FIAALP C(=C/c1ccco1)\C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000067588697 205376237 /nfs/dbraw/zinc/37/62/37/205376237.db2.gz XNQWMFCESZJKLD-YNYHDPJCSA-N 2 2 350.506 4.323 50 0 FIAALP C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215709370 206349792 /nfs/dbraw/zinc/34/97/92/206349792.db2.gz FINVAGMFBHEANS-UHFFFAOYSA-N 2 2 368.506 4.026 50 0 FIAALP C[N@@H+](Cc1cc(-c2ccncc2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215709370 206349797 /nfs/dbraw/zinc/34/97/97/206349797.db2.gz FINVAGMFBHEANS-UHFFFAOYSA-N 2 2 368.506 4.026 50 0 FIAALP CCc1c(C)[nH+]c(C)nc1N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095354969 536070298 /nfs/dbraw/zinc/07/02/98/536070298.db2.gz JPYOFMGIERKRNH-SFHVURJKSA-N 2 2 353.514 4.036 50 0 FIAALP C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356140 568546127 /nfs/dbraw/zinc/54/61/27/568546127.db2.gz FGBMBYJJNUFPSZ-CQSZACIVSA-N 2 2 356.267 4.486 50 0 FIAALP CCn1c2ccccc2nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000011663972 570503242 /nfs/dbraw/zinc/50/32/42/570503242.db2.gz BLXIPWDIFZRQPJ-QHCPKHFHSA-N 2 2 366.553 4.144 50 0 FIAALP CCn1c2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000011663972 570503246 /nfs/dbraw/zinc/50/32/46/570503246.db2.gz BLXIPWDIFZRQPJ-QHCPKHFHSA-N 2 2 366.553 4.144 50 0 FIAALP CCn1c2ccccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000011663972 570503250 /nfs/dbraw/zinc/50/32/50/570503250.db2.gz BLXIPWDIFZRQPJ-QHCPKHFHSA-N 2 2 366.553 4.144 50 0 FIAALP CCn1c2ccccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000011663972 570503253 /nfs/dbraw/zinc/50/32/53/570503253.db2.gz BLXIPWDIFZRQPJ-QHCPKHFHSA-N 2 2 366.553 4.144 50 0 FIAALP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000072233812 570536215 /nfs/dbraw/zinc/53/62/15/570536215.db2.gz PMVUKWUXUVWXEP-RPWUZVMVSA-N 2 2 358.485 4.192 50 0 FIAALP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000072233812 570536217 /nfs/dbraw/zinc/53/62/17/570536217.db2.gz PMVUKWUXUVWXEP-RPWUZVMVSA-N 2 2 358.485 4.192 50 0 FIAALP Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000004999732 570617482 /nfs/dbraw/zinc/61/74/82/570617482.db2.gz IBVCXGPCVCPUSZ-UHFFFAOYSA-N 2 2 351.288 4.059 50 0 FIAALP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000028925752 571043579 /nfs/dbraw/zinc/04/35/79/571043579.db2.gz ZBEIIRSKZMWFGQ-CQSZACIVSA-N 2 2 356.267 4.486 50 0 FIAALP Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000067894772 571151438 /nfs/dbraw/zinc/15/14/38/571151438.db2.gz UEJOGNZOVFTFHS-KRWDZBQOSA-N 2 2 363.461 4.223 50 0 FIAALP Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000067894772 571151439 /nfs/dbraw/zinc/15/14/39/571151439.db2.gz UEJOGNZOVFTFHS-KRWDZBQOSA-N 2 2 363.461 4.223 50 0 FIAALP CCn1cc[nH+]c1C1CC[NH+](Cc2nc(-c3ccccc3F)oc2C)CC1 ZINC000091746180 571243338 /nfs/dbraw/zinc/24/33/38/571243338.db2.gz BWWUTHSGQVMUGD-UHFFFAOYSA-N 2 2 368.456 4.385 50 0 FIAALP Fc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C3Cc4ccccc4C3)C2)C1 ZINC000011818182 1125151926 /nfs/dbraw/zinc/15/19/26/1125151926.db2.gz DEPUZRWFKRGPKH-DEOSSOPVSA-N 2 2 364.508 4.281 50 0 FIAALP Fc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](C3Cc4ccccc4C3)C2)C1 ZINC000011818182 1125151933 /nfs/dbraw/zinc/15/19/33/1125151933.db2.gz DEPUZRWFKRGPKH-DEOSSOPVSA-N 2 2 364.508 4.281 50 0 FIAALP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](C3Cc4ccccc4C3)C2)C1 ZINC000011818182 1125151940 /nfs/dbraw/zinc/15/19/40/1125151940.db2.gz DEPUZRWFKRGPKH-DEOSSOPVSA-N 2 2 364.508 4.281 50 0 FIAALP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](C3Cc4ccccc4C3)C2)C1 ZINC000011818182 1125151944 /nfs/dbraw/zinc/15/19/44/1125151944.db2.gz DEPUZRWFKRGPKH-DEOSSOPVSA-N 2 2 364.508 4.281 50 0 FIAALP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002570 205892767 /nfs/dbraw/zinc/89/27/67/205892767.db2.gz ZXJCGYDYWHXRHF-BBTUJRGHSA-N 2 2 368.521 4.393 50 0 FIAALP C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1OCc1c(F)cccc1Cl ZINC000215364460 206346045 /nfs/dbraw/zinc/34/60/45/206346045.db2.gz FAEDWQVNNKYHGS-UHFFFAOYSA-N 2 2 373.859 4.387 50 0 FIAALP C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1OCc1c(F)cccc1Cl ZINC000215364460 206346046 /nfs/dbraw/zinc/34/60/46/206346046.db2.gz FAEDWQVNNKYHGS-UHFFFAOYSA-N 2 2 373.859 4.387 50 0 FIAALP CCCn1cc[nH+]c1CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000215572102 206347016 /nfs/dbraw/zinc/34/70/16/206347016.db2.gz HLEHGTSNGJOKGH-QHCPKHFHSA-N 2 2 366.553 4.171 50 0 FIAALP CCCn1cc[nH+]c1CN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000215572102 206347021 /nfs/dbraw/zinc/34/70/21/206347021.db2.gz HLEHGTSNGJOKGH-QHCPKHFHSA-N 2 2 366.553 4.171 50 0 FIAALP Brc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000055291913 206366378 /nfs/dbraw/zinc/36/63/78/206366378.db2.gz UBYFHRXONWNGJQ-UHFFFAOYSA-N 2 2 373.338 4.246 50 0 FIAALP c1cc(SC2CCCCC2)oc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000215184081 132269655 /nfs/dbraw/zinc/26/96/55/132269655.db2.gz ZIVGXFMCYFDWOH-UHFFFAOYSA-N 2 2 357.523 4.422 50 0 FIAALP C[NH+](C)CC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000020573265 521790017 /nfs/dbraw/zinc/79/00/17/521790017.db2.gz OMVACMSEFZLKAW-HKUYNNGSSA-N 2 2 366.977 4.245 50 0 FIAALP Fc1cccc(Cl)c1COc1ccccc1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095379999 570458443 /nfs/dbraw/zinc/45/84/43/570458443.db2.gz SRIHRPBMMNBGSS-UHFFFAOYSA-N 2 2 371.843 4.340 50 0 FIAALP Fc1cccc(Cl)c1COc1ccccc1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095379999 570458444 /nfs/dbraw/zinc/45/84/44/570458444.db2.gz SRIHRPBMMNBGSS-UHFFFAOYSA-N 2 2 371.843 4.340 50 0 FIAALP CCCCc1[nH]c(CN2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)c[nH+]1 ZINC000095517072 570466451 /nfs/dbraw/zinc/46/64/51/570466451.db2.gz IDHUIVJDSRWMFA-FQEVSTJZSA-N 2 2 366.553 4.206 50 0 FIAALP CCCCc1[nH]c(CN2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)c[nH+]1 ZINC000095517072 570466453 /nfs/dbraw/zinc/46/64/53/570466453.db2.gz IDHUIVJDSRWMFA-FQEVSTJZSA-N 2 2 366.553 4.206 50 0 FIAALP CCCCc1[nH]cc(CN2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)[nH+]1 ZINC000095517072 570466455 /nfs/dbraw/zinc/46/64/55/570466455.db2.gz IDHUIVJDSRWMFA-FQEVSTJZSA-N 2 2 366.553 4.206 50 0 FIAALP CCCCc1[nH]cc(CN2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)[nH+]1 ZINC000095517072 570466457 /nfs/dbraw/zinc/46/64/57/570466457.db2.gz IDHUIVJDSRWMFA-FQEVSTJZSA-N 2 2 366.553 4.206 50 0 FIAALP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)n1 ZINC000011844526 570596569 /nfs/dbraw/zinc/59/65/69/570596569.db2.gz LVYZYLAENKTGBV-JOCHJYFZSA-N 2 2 353.485 4.017 50 0 FIAALP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)n1 ZINC000011844526 570596572 /nfs/dbraw/zinc/59/65/72/570596572.db2.gz LVYZYLAENKTGBV-JOCHJYFZSA-N 2 2 353.485 4.017 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000011844526 570596577 /nfs/dbraw/zinc/59/65/77/570596577.db2.gz LVYZYLAENKTGBV-JOCHJYFZSA-N 2 2 353.485 4.017 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)n1 ZINC000011844526 570596580 /nfs/dbraw/zinc/59/65/80/570596580.db2.gz LVYZYLAENKTGBV-JOCHJYFZSA-N 2 2 353.485 4.017 50 0 FIAALP CCOc1cccc(C[NH2+]C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000071947028 570878018 /nfs/dbraw/zinc/87/80/18/570878018.db2.gz BXGPSOXYWYFOGW-JOCHJYFZSA-N 2 2 354.494 4.021 50 0 FIAALP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000028925753 571043559 /nfs/dbraw/zinc/04/35/59/571043559.db2.gz ZBEIIRSKZMWFGQ-AWEZNQCLSA-N 2 2 356.267 4.486 50 0 FIAALP Cc1cc(C)[nH+]c(-c2cccc(C(=O)NCCC[N@@H+](C)C3CCCC3)c2)c1 ZINC000299755218 571191912 /nfs/dbraw/zinc/19/19/12/571191912.db2.gz BMCMAHFECJETLZ-UHFFFAOYSA-N 2 2 365.521 4.360 50 0 FIAALP Cc1cc(C)[nH+]c(-c2cccc(C(=O)NCCC[N@H+](C)C3CCCC3)c2)c1 ZINC000299755218 571191913 /nfs/dbraw/zinc/19/19/13/571191913.db2.gz BMCMAHFECJETLZ-UHFFFAOYSA-N 2 2 365.521 4.360 50 0 FIAALP CCCCc1[nH]c(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000072432805 571196063 /nfs/dbraw/zinc/19/60/63/571196063.db2.gz BYEAFWBFBZNCFD-QNWVGRARSA-N 2 2 367.537 4.405 50 0 FIAALP CCCCc1[nH]c(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000072432805 571196064 /nfs/dbraw/zinc/19/60/64/571196064.db2.gz BYEAFWBFBZNCFD-QNWVGRARSA-N 2 2 367.537 4.405 50 0 FIAALP COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3c[nH+]c(CC4CCCC4)[nH]3)C2)c1 ZINC000077378233 571209392 /nfs/dbraw/zinc/20/93/92/571209392.db2.gz QDEHGGUWUZQFHB-QGZVFWFLSA-N 2 2 369.509 4.149 50 0 FIAALP COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3c[nH+]c(CC4CCCC4)[nH]3)C2)c1 ZINC000077378233 571209394 /nfs/dbraw/zinc/20/93/94/571209394.db2.gz QDEHGGUWUZQFHB-QGZVFWFLSA-N 2 2 369.509 4.149 50 0 FIAALP COc1ccc(OC)c([C@H]2CC[N@H+](Cc3c[nH+]c(CC4CCCC4)[nH]3)C2)c1 ZINC000077378236 571209415 /nfs/dbraw/zinc/20/94/15/571209415.db2.gz QDEHGGUWUZQFHB-KRWDZBQOSA-N 2 2 369.509 4.149 50 0 FIAALP COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3c[nH+]c(CC4CCCC4)[nH]3)C2)c1 ZINC000077378236 571209416 /nfs/dbraw/zinc/20/94/16/571209416.db2.gz QDEHGGUWUZQFHB-KRWDZBQOSA-N 2 2 369.509 4.149 50 0 FIAALP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077506034 571214422 /nfs/dbraw/zinc/21/44/22/571214422.db2.gz VMEVWKVACZYXPF-MRXNPFEDSA-N 2 2 356.495 4.353 50 0 FIAALP Cc1oc(-c2cccs2)nc1C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077506034 571214424 /nfs/dbraw/zinc/21/44/24/571214424.db2.gz VMEVWKVACZYXPF-MRXNPFEDSA-N 2 2 356.495 4.353 50 0 FIAALP Cc1c[nH+]c(-c2cccnc2)n1CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000581808710 1084623368 /nfs/dbraw/zinc/62/33/68/1084623368.db2.gz YWUSJTYGAROHJX-UHFFFAOYSA-N 2 2 364.468 4.305 50 0 FIAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCCCC2)cc1 ZINC000004816018 207051181 /nfs/dbraw/zinc/05/11/81/207051181.db2.gz VBXFOMRPUAWCHA-UHFFFAOYSA-N 2 2 374.488 4.451 50 0 biogenic FIAALP CCCCn1cc[nH+]c1C1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000091908574 209003904 /nfs/dbraw/zinc/00/39/04/209003904.db2.gz DWFUZXVACPHRDE-UHFFFAOYSA-N 2 2 365.481 4.113 50 0 FIAALP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(C)c1OC(F)F ZINC000095468639 209054876 /nfs/dbraw/zinc/05/48/76/209054876.db2.gz GCICORIQJIFEIU-INIZCTEOSA-N 2 2 363.452 4.093 50 0 FIAALP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(C)c1OC(F)F ZINC000095468639 209054879 /nfs/dbraw/zinc/05/48/79/209054879.db2.gz GCICORIQJIFEIU-INIZCTEOSA-N 2 2 363.452 4.093 50 0 FIAALP Cc1ccc[nH+]c1N1CC[NH+](Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000072162621 136143312 /nfs/dbraw/zinc/14/33/12/136143312.db2.gz SXWYPHXUWXWNCL-SFHVURJKSA-N 2 2 357.523 4.015 50 0 FIAALP CCn1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1C ZINC000014966453 568278309 /nfs/dbraw/zinc/27/83/09/568278309.db2.gz BIZPLUFECWEKSC-QFIPXVFZSA-N 2 2 358.574 4.080 50 0 FIAALP CCn1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1C ZINC000014966453 568278311 /nfs/dbraw/zinc/27/83/11/568278311.db2.gz BIZPLUFECWEKSC-QFIPXVFZSA-N 2 2 358.574 4.080 50 0 FIAALP CCn1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)c1C ZINC000014966453 568278313 /nfs/dbraw/zinc/27/83/13/568278313.db2.gz BIZPLUFECWEKSC-QFIPXVFZSA-N 2 2 358.574 4.080 50 0 FIAALP CCn1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1C ZINC000014966453 568278314 /nfs/dbraw/zinc/27/83/14/568278314.db2.gz BIZPLUFECWEKSC-QFIPXVFZSA-N 2 2 358.574 4.080 50 0 FIAALP CCOc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccccc1 ZINC000010313998 570699999 /nfs/dbraw/zinc/69/99/99/570699999.db2.gz WIBZRXDMNMQDOY-UHFFFAOYSA-N 2 2 365.477 4.041 50 0 FIAALP CC[NH+]1CCC([N@@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)CC1 ZINC000067895719 571151493 /nfs/dbraw/zinc/15/14/93/571151493.db2.gz NXTVUHJTJUDDLU-UHFFFAOYSA-N 2 2 366.505 4.046 50 0 FIAALP CC[NH+]1CCC([N@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)CC1 ZINC000067895719 571151497 /nfs/dbraw/zinc/15/14/97/571151497.db2.gz NXTVUHJTJUDDLU-UHFFFAOYSA-N 2 2 366.505 4.046 50 0 FIAALP C[NH+](C)Cc1cc2n(n1)CCC[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000072147892 571173778 /nfs/dbraw/zinc/17/37/78/571173778.db2.gz PXZXHWDXLIFINM-UHFFFAOYSA-N 2 2 366.534 4.079 50 0 FIAALP C[NH+](C)Cc1cc2n(n1)CCC[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000072147892 571173782 /nfs/dbraw/zinc/17/37/82/571173782.db2.gz PXZXHWDXLIFINM-UHFFFAOYSA-N 2 2 366.534 4.079 50 0 FIAALP COc1cc(-c2[nH+]ccn2[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1O ZINC000077321359 571207590 /nfs/dbraw/zinc/20/75/90/571207590.db2.gz OCHLYPKTVNXMRD-INIZCTEOSA-N 2 2 369.490 4.163 50 0 FIAALP COc1cc(-c2[nH+]ccn2[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1O ZINC000077321359 571207591 /nfs/dbraw/zinc/20/75/91/571207591.db2.gz OCHLYPKTVNXMRD-INIZCTEOSA-N 2 2 369.490 4.163 50 0 FIAALP COc1cc(-c2[nH+]ccn2[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1O ZINC000077321356 571207605 /nfs/dbraw/zinc/20/76/05/571207605.db2.gz OCHLYPKTVNXMRD-MRXNPFEDSA-N 2 2 369.490 4.163 50 0 FIAALP COc1cc(-c2[nH+]ccn2[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1O ZINC000077321356 571207606 /nfs/dbraw/zinc/20/76/06/571207606.db2.gz OCHLYPKTVNXMRD-MRXNPFEDSA-N 2 2 369.490 4.163 50 0 FIAALP COc1c(F)cc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)cc1Cl ZINC000077521727 571214578 /nfs/dbraw/zinc/21/45/78/571214578.db2.gz KXAQZVDVGVXDRI-INIZCTEOSA-N 2 2 365.880 4.437 50 0 FIAALP COc1c(F)cc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)cc1Cl ZINC000077521727 571214579 /nfs/dbraw/zinc/21/45/79/571214579.db2.gz KXAQZVDVGVXDRI-INIZCTEOSA-N 2 2 365.880 4.437 50 0 FIAALP C[NH+](C)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006871435 207173921 /nfs/dbraw/zinc/17/39/21/207173921.db2.gz DOTUSJHFTWOYTG-UHFFFAOYSA-N 2 2 357.461 4.061 50 0 FIAALP c1oc(-c2ccccc2)nc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000012593247 207398597 /nfs/dbraw/zinc/39/85/97/207398597.db2.gz FXAILLPDWARYCL-HSZRJFAPSA-N 2 2 365.521 4.430 50 0 FIAALP c1oc(-c2ccccc2)nc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000012593247 207398601 /nfs/dbraw/zinc/39/86/01/207398601.db2.gz FXAILLPDWARYCL-HSZRJFAPSA-N 2 2 365.521 4.430 50 0 FIAALP c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000012593247 207398607 /nfs/dbraw/zinc/39/86/07/207398607.db2.gz FXAILLPDWARYCL-HSZRJFAPSA-N 2 2 365.521 4.430 50 0 FIAALP c1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000012593247 207398614 /nfs/dbraw/zinc/39/86/14/207398614.db2.gz FXAILLPDWARYCL-HSZRJFAPSA-N 2 2 365.521 4.430 50 0 FIAALP CCOc1ccccc1CNc1[nH+]c2ccccc2n1CC[NH+](CC)CC ZINC000013749740 207483997 /nfs/dbraw/zinc/48/39/97/207483997.db2.gz SMFADWOMAXANFN-UHFFFAOYSA-N 2 2 366.509 4.389 50 0 FIAALP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)cs1 ZINC000082108018 526857927 /nfs/dbraw/zinc/85/79/27/526857927.db2.gz URHUPUPUTLVJCR-GOSISDBHSA-N 2 2 352.507 4.076 50 0 FIAALP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)cs1 ZINC000082108018 526857920 /nfs/dbraw/zinc/85/79/20/526857920.db2.gz URHUPUPUTLVJCR-GOSISDBHSA-N 2 2 352.507 4.076 50 0 FIAALP COc1ccccc1N1CC[NH+](C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000004398208 537068086 /nfs/dbraw/zinc/06/80/86/537068086.db2.gz YRBSCSSBIRSNAF-UHFFFAOYSA-N 2 2 371.569 4.004 50 0 FIAALP C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356121 568546107 /nfs/dbraw/zinc/54/61/07/568546107.db2.gz DADZPOFIDZMKLN-AWEZNQCLSA-N 2 2 356.267 4.486 50 0 FIAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000026304561 571004502 /nfs/dbraw/zinc/00/45/02/571004502.db2.gz OHOVIIHMWGTIPK-FQEVSTJZSA-N 2 2 371.912 4.166 50 0 FIAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000026304561 571004503 /nfs/dbraw/zinc/00/45/03/571004503.db2.gz OHOVIIHMWGTIPK-FQEVSTJZSA-N 2 2 371.912 4.166 50 0 FIAALP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271810 571145012 /nfs/dbraw/zinc/14/50/12/571145012.db2.gz OMZVQTURFYWCAU-JOCHJYFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271810 571145017 /nfs/dbraw/zinc/14/50/17/571145017.db2.gz OMZVQTURFYWCAU-JOCHJYFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271810 571145020 /nfs/dbraw/zinc/14/50/20/571145020.db2.gz OMZVQTURFYWCAU-JOCHJYFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271810 571145024 /nfs/dbraw/zinc/14/50/24/571145024.db2.gz OMZVQTURFYWCAU-JOCHJYFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[NH+]1CCC([NH3+])CC1 ZINC000067691818 571148570 /nfs/dbraw/zinc/14/85/70/571148570.db2.gz IVUHZCNJQHHHSS-UHFFFAOYSA-N 2 2 363.461 4.365 50 0 FIAALP CCc1[nH+]ccn1CCCn1cnc(-c2ccccc2)c1-c1[nH+]c[nH]c1C ZINC000067833323 571149998 /nfs/dbraw/zinc/14/99/98/571149998.db2.gz ZLKZBBGXBOKRMJ-UHFFFAOYSA-N 2 2 360.465 4.098 50 0 FIAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CCC[NH2+]C(C)C)cc1 ZINC000001828584 571197444 /nfs/dbraw/zinc/19/74/44/571197444.db2.gz QFYKDKDHQZXDMP-UHFFFAOYSA-N 2 2 362.477 4.353 50 0 FIAALP c1cn(CC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c([C@H]2CCOC2)[nH+]1 ZINC000072468513 571198200 /nfs/dbraw/zinc/19/82/00/571198200.db2.gz ZRIAIEPFPLHTDL-JCYILVPMSA-N 2 2 350.466 4.237 50 0 FIAALP C[C@H]1c2cccn2CC[NH+]1Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000015415645 1121223606 /nfs/dbraw/zinc/22/36/06/1121223606.db2.gz APEIFEBSZIHGDM-PMACEKPBSA-N 2 2 374.532 4.443 50 0 FIAALP C[C@H]1c2cccn2CC[NH+]1Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000015415645 1121223611 /nfs/dbraw/zinc/22/36/11/1121223611.db2.gz APEIFEBSZIHGDM-PMACEKPBSA-N 2 2 374.532 4.443 50 0 FIAALP COc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1C[NH+]1CCCC1 ZINC000097655522 209191230 /nfs/dbraw/zinc/19/12/30/209191230.db2.gz OEFZVTOBNCKUGW-NRFANRHFSA-N 2 2 354.469 4.377 50 0 FIAALP COc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1C[NH+]1CCCC1 ZINC000097655522 209191232 /nfs/dbraw/zinc/19/12/32/209191232.db2.gz OEFZVTOBNCKUGW-NRFANRHFSA-N 2 2 354.469 4.377 50 0 FIAALP CCCC[NH+](CCCC)CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000005834502 207119621 /nfs/dbraw/zinc/11/96/21/207119621.db2.gz OWCDBLUTAHMQHG-UHFFFAOYSA-N 2 2 356.514 4.142 50 0 FIAALP CCn1c2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000011663973 207316693 /nfs/dbraw/zinc/31/66/93/207316693.db2.gz BLXIPWDIFZRQPJ-HSZRJFAPSA-N 2 2 366.553 4.144 50 0 FIAALP CCn1c2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000011663973 207316697 /nfs/dbraw/zinc/31/66/97/207316697.db2.gz BLXIPWDIFZRQPJ-HSZRJFAPSA-N 2 2 366.553 4.144 50 0 FIAALP CCn1c2ccccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000011663973 207316700 /nfs/dbraw/zinc/31/67/00/207316700.db2.gz BLXIPWDIFZRQPJ-HSZRJFAPSA-N 2 2 366.553 4.144 50 0 FIAALP CCn1c2ccccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000011663973 207316703 /nfs/dbraw/zinc/31/67/03/207316703.db2.gz BLXIPWDIFZRQPJ-HSZRJFAPSA-N 2 2 366.553 4.144 50 0 FIAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000095383209 209042065 /nfs/dbraw/zinc/04/20/65/209042065.db2.gz AZKDBUJXKKYHPD-FQEVSTJZSA-N 2 2 363.509 4.249 50 0 FIAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000095383209 209042066 /nfs/dbraw/zinc/04/20/66/209042066.db2.gz AZKDBUJXKKYHPD-FQEVSTJZSA-N 2 2 363.509 4.249 50 0 FIAALP Clc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000001167685 132380705 /nfs/dbraw/zinc/38/07/05/132380705.db2.gz SZPVWZDXVYIMFV-UHFFFAOYSA-N 2 2 369.940 4.127 50 0 FIAALP CC(C)=CCC/C(C)=C/C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]c[nH+]c1C)C2 ZINC000091585797 519402700 /nfs/dbraw/zinc/40/27/00/519402700.db2.gz LXUPWHWBERUXTO-SYWXZGPASA-N 2 2 356.558 4.307 50 0 FIAALP CC(C)=CCC/C(C)=C/C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]c[nH+]c1C)C2 ZINC000091585797 519402705 /nfs/dbraw/zinc/40/27/05/519402705.db2.gz LXUPWHWBERUXTO-SYWXZGPASA-N 2 2 356.558 4.307 50 0 FIAALP C[NH+](C)CC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000020573263 521789073 /nfs/dbraw/zinc/78/90/73/521789073.db2.gz OMVACMSEFZLKAW-IEBWSBKVSA-N 2 2 366.977 4.245 50 0 FIAALP C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000241338614 524516499 /nfs/dbraw/zinc/51/64/99/524516499.db2.gz MCKROGIYCHBFCP-RHSMWYFYSA-N 2 2 356.857 4.275 50 0 FIAALP C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000241338614 524516505 /nfs/dbraw/zinc/51/65/05/524516505.db2.gz MCKROGIYCHBFCP-RHSMWYFYSA-N 2 2 356.857 4.275 50 0 FIAALP C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356281 568546191 /nfs/dbraw/zinc/54/61/91/568546191.db2.gz ZTKHMJOFQKNSIT-CQSZACIVSA-N 2 2 356.267 4.486 50 0 FIAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000229404306 571177865 /nfs/dbraw/zinc/17/78/65/571177865.db2.gz JAEVPYZXJAIERU-NFBKMPQASA-N 2 2 364.533 4.160 50 0 FIAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000229404306 571177866 /nfs/dbraw/zinc/17/78/66/571177866.db2.gz JAEVPYZXJAIERU-NFBKMPQASA-N 2 2 364.533 4.160 50 0 FIAALP Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000089583101 571212709 /nfs/dbraw/zinc/21/27/09/571212709.db2.gz AIUPZBUCRZNWLO-QFIPXVFZSA-N 2 2 365.452 4.168 50 0 FIAALP C[C@@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)[nH+]cn1CCCC[NH3+] ZINC000065492727 571264074 /nfs/dbraw/zinc/26/40/74/571264074.db2.gz WGXUBSWAJHTCDO-SFHVURJKSA-N 2 2 357.542 4.409 50 0 FIAALP c1ccc(CCc2cc[nH+]c(NCc3ccc(N4CCCC4)[nH+]c3)c2)cc1 ZINC000095972338 209091316 /nfs/dbraw/zinc/09/13/16/209091316.db2.gz GLWKWHWRYNJAKN-UHFFFAOYSA-N 2 2 358.489 4.474 50 0 FIAALP Cc1nc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000082083329 132193776 /nfs/dbraw/zinc/19/37/76/132193776.db2.gz MOKMOIBKJDDZEL-FQEVSTJZSA-N 2 2 361.493 4.031 50 0 FIAALP C[NH+](C)CC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000020573267 521787193 /nfs/dbraw/zinc/78/71/93/521787193.db2.gz OMVACMSEFZLKAW-MJGOQNOKSA-N 2 2 366.977 4.245 50 0 FIAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC000096152079 536019634 /nfs/dbraw/zinc/01/96/34/536019634.db2.gz KISLIQZLJLMJGP-UHFFFAOYSA-N 2 2 372.944 4.192 50 0 FIAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+][C@H](C)Cc2ccccc2)c1C ZINC000000754599 568181358 /nfs/dbraw/zinc/18/13/58/568181358.db2.gz YHPPORWARGLPBZ-MRXNPFEDSA-N 2 2 361.489 4.265 50 0 FIAALP Cc1ccc(-c2cc(O)c3c(c2)C[NH+](CC[C@H]2CCC[N@H+]2C)CCO3)s1 ZINC000067726137 571149040 /nfs/dbraw/zinc/14/90/40/571149040.db2.gz PRXNQQQQHQMOQG-GOSISDBHSA-N 2 2 372.534 4.108 50 0 FIAALP Cc1ccc(-c2cc(O)c3c(c2)C[NH+](CC[C@H]2CCC[N@@H+]2C)CCO3)s1 ZINC000067726137 571149041 /nfs/dbraw/zinc/14/90/41/571149041.db2.gz PRXNQQQQHQMOQG-GOSISDBHSA-N 2 2 372.534 4.108 50 0 FIAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CC[C@H]2CCC[NH+]2C)CCO3)s1 ZINC000067726137 571149043 /nfs/dbraw/zinc/14/90/43/571149043.db2.gz PRXNQQQQHQMOQG-GOSISDBHSA-N 2 2 372.534 4.108 50 0 FIAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CC[C@H]2CCC[NH+]2C)CCO3)s1 ZINC000067726137 571149045 /nfs/dbraw/zinc/14/90/45/571149045.db2.gz PRXNQQQQHQMOQG-GOSISDBHSA-N 2 2 372.534 4.108 50 0 FIAALP CC1(C)C[C@H](c2[nH+]ccn2CCCc2[nH]c3ccc(F)cc3[nH+]2)CCO1 ZINC000072411242 571191938 /nfs/dbraw/zinc/19/19/38/571191938.db2.gz JCLPOOAFKBQJJF-CQSZACIVSA-N 2 2 356.445 4.204 50 0 FIAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000077319933 571207367 /nfs/dbraw/zinc/20/73/67/571207367.db2.gz GLYZHKCKDAZMIP-IBGZPJMESA-N 2 2 350.466 4.062 50 0 FIAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000077319933 571207368 /nfs/dbraw/zinc/20/73/68/571207368.db2.gz GLYZHKCKDAZMIP-IBGZPJMESA-N 2 2 350.466 4.062 50 0 FIAALP CCn1cc[nH+]c1C1CC[NH+](Cc2ccccc2-n2nc(C)cc2C)CC1 ZINC000091636003 571241596 /nfs/dbraw/zinc/24/15/96/571241596.db2.gz SRTVFRDJMULMPW-UHFFFAOYSA-N 2 2 363.509 4.085 50 0 FIAALP Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC[NH+](C)C)c1 ZINC000008415072 207233199 /nfs/dbraw/zinc/23/31/99/207233199.db2.gz JRORUNFAIRWNQB-UHFFFAOYSA-N 2 2 371.488 4.369 50 0 FIAALP CCn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000012459222 207381762 /nfs/dbraw/zinc/38/17/62/207381762.db2.gz RAJBLHGRNFHHSS-HSZRJFAPSA-N 2 2 366.553 4.008 50 0 FIAALP CCn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000012459222 207381768 /nfs/dbraw/zinc/38/17/68/207381768.db2.gz RAJBLHGRNFHHSS-HSZRJFAPSA-N 2 2 366.553 4.008 50 0 FIAALP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000012459222 207381776 /nfs/dbraw/zinc/38/17/76/207381776.db2.gz RAJBLHGRNFHHSS-HSZRJFAPSA-N 2 2 366.553 4.008 50 0 FIAALP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000012459222 207381783 /nfs/dbraw/zinc/38/17/83/207381783.db2.gz RAJBLHGRNFHHSS-HSZRJFAPSA-N 2 2 366.553 4.008 50 0 FIAALP c1cn(Cc2ccncc2)c([C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)[nH+]1 ZINC000091986966 132205437 /nfs/dbraw/zinc/20/54/37/132205437.db2.gz KYBDRPZFIRACRB-FQEVSTJZSA-N 2 2 369.472 4.259 50 0 FIAALP Cc1cc(N2CCc3c([nH+]cn3C3CC3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000095400229 132210671 /nfs/dbraw/zinc/21/06/71/132210671.db2.gz WTRACNDGNCYWCP-UHFFFAOYSA-N 2 2 370.403 4.239 50 0 FIAALP Fc1cccc(-c2ccc(N3CCC([NH2+]CCc4c[nH]c[nH+]4)CC3)cc2)c1 ZINC000019853712 526380058 /nfs/dbraw/zinc/38/00/58/526380058.db2.gz NEOUXLFAJOZXEE-UHFFFAOYSA-N 2 2 364.468 4.017 50 0 FIAALP Fc1cccc(-c2ccc(N3CCC([NH2+]CCc4c[nH+]c[nH]4)CC3)cc2)c1 ZINC000019853712 526380066 /nfs/dbraw/zinc/38/00/66/526380066.db2.gz NEOUXLFAJOZXEE-UHFFFAOYSA-N 2 2 364.468 4.017 50 0 FIAALP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082109036 527697283 /nfs/dbraw/zinc/69/72/83/527697283.db2.gz VROWIJASSIAWPG-KRWDZBQOSA-N 2 2 361.436 4.274 50 0 FIAALP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082109036 527697284 /nfs/dbraw/zinc/69/72/84/527697284.db2.gz VROWIJASSIAWPG-KRWDZBQOSA-N 2 2 361.436 4.274 50 0 FIAALP COc1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1O ZINC000060832299 570448870 /nfs/dbraw/zinc/44/88/70/570448870.db2.gz CWFAQKYDNAGZGW-QGZVFWFLSA-N 2 2 360.523 4.025 50 0 FIAALP CC[NH+](CC)CCn1c(-c2ccc(OC)cc2)cn2c3ccccc3[nH+]c21 ZINC000001247211 570496222 /nfs/dbraw/zinc/49/62/22/570496222.db2.gz WUCOFLDFHYNMHE-UHFFFAOYSA-N 2 2 362.477 4.306 50 0 FIAALP Cc1ccc(-c2cc(O)c3c(c2)C[NH+](CC[C@@H]2CCC[N@H+]2C)CCO3)s1 ZINC000067726133 571148904 /nfs/dbraw/zinc/14/89/04/571148904.db2.gz PRXNQQQQHQMOQG-SFHVURJKSA-N 2 2 372.534 4.108 50 0 FIAALP Cc1ccc(-c2cc(O)c3c(c2)C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCO3)s1 ZINC000067726133 571148906 /nfs/dbraw/zinc/14/89/06/571148906.db2.gz PRXNQQQQHQMOQG-SFHVURJKSA-N 2 2 372.534 4.108 50 0 FIAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CC[C@@H]2CCC[NH+]2C)CCO3)s1 ZINC000067726133 571148908 /nfs/dbraw/zinc/14/89/08/571148908.db2.gz PRXNQQQQHQMOQG-SFHVURJKSA-N 2 2 372.534 4.108 50 0 FIAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCO3)s1 ZINC000067726133 571148910 /nfs/dbraw/zinc/14/89/10/571148910.db2.gz PRXNQQQQHQMOQG-SFHVURJKSA-N 2 2 372.534 4.108 50 0 FIAALP COc1ccc2c(C)cc(N3CC[C@@]4(C3)CCC[N@H+](CC3CC3)C4)[nH+]c2c1 ZINC000072407608 571191180 /nfs/dbraw/zinc/19/11/80/571191180.db2.gz LOIVFNJTHFJWAA-QHCPKHFHSA-N 2 2 365.521 4.254 50 0 FIAALP COc1ccc2c(C)cc(N3CC[C@@]4(C3)CCC[N@@H+](CC3CC3)C4)[nH+]c2c1 ZINC000072407608 571191181 /nfs/dbraw/zinc/19/11/81/571191181.db2.gz LOIVFNJTHFJWAA-QHCPKHFHSA-N 2 2 365.521 4.254 50 0 FIAALP C[N@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000072439670 571196811 /nfs/dbraw/zinc/19/68/11/571196811.db2.gz PENDHIUVMRLBRE-UHFFFAOYSA-N 2 2 360.505 4.270 50 0 FIAALP C[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000072439670 571196812 /nfs/dbraw/zinc/19/68/12/571196812.db2.gz PENDHIUVMRLBRE-UHFFFAOYSA-N 2 2 360.505 4.270 50 0 FIAALP C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077423574 571211240 /nfs/dbraw/zinc/21/12/40/571211240.db2.gz TVOLODLRLSJDOG-UHFFFAOYSA-N 2 2 368.506 4.026 50 0 FIAALP C[N@@H+](Cc1cc(-c2cccnc2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077423574 571211241 /nfs/dbraw/zinc/21/12/41/571211241.db2.gz TVOLODLRLSJDOG-UHFFFAOYSA-N 2 2 368.506 4.026 50 0 FIAALP c1sc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1C[NH+]1CCCC1 ZINC000077555195 571215384 /nfs/dbraw/zinc/21/53/84/571215384.db2.gz YRMWCYQTPAFJCS-LJQANCHMSA-N 3 2 361.599 4.042 50 0 FIAALP c1sc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1C[NH+]1CCCC1 ZINC000077555195 571215385 /nfs/dbraw/zinc/21/53/85/571215385.db2.gz YRMWCYQTPAFJCS-LJQANCHMSA-N 3 2 361.599 4.042 50 0 FIAALP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)s1)Cc1cnc2ccccc2n1 ZINC000097076663 209168386 /nfs/dbraw/zinc/16/83/86/209168386.db2.gz XBBYWNMYVZKXND-UHFFFAOYSA-N 2 2 366.534 4.309 50 0 FIAALP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)s1)Cc1cnc2ccccc2n1 ZINC000097076663 209168387 /nfs/dbraw/zinc/16/83/87/209168387.db2.gz XBBYWNMYVZKXND-UHFFFAOYSA-N 2 2 366.534 4.309 50 0 FIAALP C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC(c1ccccc1)c1ccccc1 ZINC000004987384 207070033 /nfs/dbraw/zinc/07/00/33/207070033.db2.gz FDEJOQUBDWWSFF-UHFFFAOYSA-N 3 2 367.581 4.024 50 0 FIAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1C ZINC000005842053 207119003 /nfs/dbraw/zinc/11/90/03/207119003.db2.gz WGWPYGDQEHKTAY-UHFFFAOYSA-N 2 2 355.526 4.270 50 0 FIAALP C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000089930001 524516527 /nfs/dbraw/zinc/51/65/27/524516527.db2.gz MCKROGIYCHBFCP-PBHICJAKSA-N 2 2 356.857 4.275 50 0 FIAALP C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000089930001 524516531 /nfs/dbraw/zinc/51/65/31/524516531.db2.gz MCKROGIYCHBFCP-PBHICJAKSA-N 2 2 356.857 4.275 50 0 FIAALP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082109037 527697036 /nfs/dbraw/zinc/69/70/36/527697036.db2.gz VROWIJASSIAWPG-QGZVFWFLSA-N 2 2 361.436 4.274 50 0 FIAALP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082109037 527697037 /nfs/dbraw/zinc/69/70/37/527697037.db2.gz VROWIJASSIAWPG-QGZVFWFLSA-N 2 2 361.436 4.274 50 0 FIAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000216013016 568100608 /nfs/dbraw/zinc/10/06/08/568100608.db2.gz OONTWIALAOURRV-OAHLLOKOSA-N 2 2 356.470 4.062 50 0 FIAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000216013016 568100609 /nfs/dbraw/zinc/10/06/09/568100609.db2.gz OONTWIALAOURRV-OAHLLOKOSA-N 2 2 356.470 4.062 50 0 FIAALP C[C@H](c1ccc(-c2ccc(C[NH+]3CCOCC3)cn2)cc1)[NH+]1CCCCC1 ZINC000216038094 568102052 /nfs/dbraw/zinc/10/20/52/568102052.db2.gz PFIIMDQLIDYCNA-LJQANCHMSA-N 2 2 365.521 4.128 50 0 FIAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000023303150 570461196 /nfs/dbraw/zinc/46/11/96/570461196.db2.gz RXAFXGBWGRWNEC-SFHVURJKSA-N 2 2 371.912 4.166 50 0 FIAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000023303150 570461200 /nfs/dbraw/zinc/46/12/00/570461200.db2.gz RXAFXGBWGRWNEC-SFHVURJKSA-N 2 2 371.912 4.166 50 0 FIAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000026304556 571003904 /nfs/dbraw/zinc/00/39/04/571003904.db2.gz OHOVIIHMWGTIPK-HXUWFJFHSA-N 2 2 371.912 4.166 50 0 FIAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000026304556 571003908 /nfs/dbraw/zinc/00/39/08/571003908.db2.gz OHOVIIHMWGTIPK-HXUWFJFHSA-N 2 2 371.912 4.166 50 0 FIAALP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000084667735 571095479 /nfs/dbraw/zinc/09/54/79/571095479.db2.gz JVJPAORAUCDFDI-HZPDHXFCSA-N 2 2 374.916 4.259 50 0 FIAALP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000084667735 571095481 /nfs/dbraw/zinc/09/54/81/571095481.db2.gz JVJPAORAUCDFDI-HZPDHXFCSA-N 2 2 374.916 4.259 50 0 FIAALP Fc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC000055091000 571116226 /nfs/dbraw/zinc/11/62/26/571116226.db2.gz YKHDXPZUHKWDLF-SFHVURJKSA-N 2 2 358.423 4.456 50 0 FIAALP Fc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC000055091000 571116228 /nfs/dbraw/zinc/11/62/28/571116228.db2.gz YKHDXPZUHKWDLF-SFHVURJKSA-N 2 2 358.423 4.456 50 0 FIAALP Fc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC000055091000 571116229 /nfs/dbraw/zinc/11/62/29/571116229.db2.gz YKHDXPZUHKWDLF-SFHVURJKSA-N 2 2 358.423 4.456 50 0 FIAALP Fc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC000055091000 571116232 /nfs/dbraw/zinc/11/62/32/571116232.db2.gz YKHDXPZUHKWDLF-SFHVURJKSA-N 2 2 358.423 4.456 50 0 FIAALP Cc1cc(C)c(NC(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(C)[nH+]1 ZINC000299803050 571203849 /nfs/dbraw/zinc/20/38/49/571203849.db2.gz VNORAMBQOSKQBI-HXUWFJFHSA-N 2 2 366.509 4.437 50 0 FIAALP Cc1ccc(-c2ccc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)cc2)c(C)[nH+]1 ZINC000426470551 571226577 /nfs/dbraw/zinc/22/65/77/571226577.db2.gz HMKSODQFAABDIW-QGZVFWFLSA-N 2 2 363.505 4.064 50 0 FIAALP Cc1ccc(-c2ccc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)cc2)c(C)[nH+]1 ZINC000426470551 571226579 /nfs/dbraw/zinc/22/65/79/571226579.db2.gz HMKSODQFAABDIW-QGZVFWFLSA-N 2 2 363.505 4.064 50 0 FIAALP COc1ccccc1CNc1[nH+]c2ccccc2n1CC[NH+]1CCCCC1 ZINC000002409375 571321521 /nfs/dbraw/zinc/32/15/21/571321521.db2.gz SMMDROIKXKFOOU-UHFFFAOYSA-N 2 2 364.493 4.143 50 0 FIAALP Brc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000023280059 1083670531 /nfs/dbraw/zinc/67/05/31/1083670531.db2.gz MLPRJCJJJPRCCI-UHFFFAOYSA-N 2 2 359.311 4.203 50 0 FIAALP Cc1ccc2[nH]c(C3CC[NH+](Cc4nc(-c5ccccc5)no4)CC3)[nH+]c2c1 ZINC000011933538 207329988 /nfs/dbraw/zinc/32/99/88/207329988.db2.gz WKOGLCSSVWTKFW-UHFFFAOYSA-N 2 2 373.460 4.301 50 0 FIAALP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)n1 ZINC000011844525 207326480 /nfs/dbraw/zinc/32/64/80/207326480.db2.gz LVYZYLAENKTGBV-QFIPXVFZSA-N 2 2 353.485 4.017 50 0 FIAALP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)n1 ZINC000011844525 207326483 /nfs/dbraw/zinc/32/64/83/207326483.db2.gz LVYZYLAENKTGBV-QFIPXVFZSA-N 2 2 353.485 4.017 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000011844525 207326486 /nfs/dbraw/zinc/32/64/86/207326486.db2.gz LVYZYLAENKTGBV-QFIPXVFZSA-N 2 2 353.485 4.017 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)n1 ZINC000011844525 207326490 /nfs/dbraw/zinc/32/64/90/207326490.db2.gz LVYZYLAENKTGBV-QFIPXVFZSA-N 2 2 353.485 4.017 50 0 FIAALP c1oc(-c2ccccc2)nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000012593254 207397417 /nfs/dbraw/zinc/39/74/17/207397417.db2.gz FXAILLPDWARYCL-QHCPKHFHSA-N 2 2 365.521 4.430 50 0 FIAALP c1oc(-c2ccccc2)nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000012593254 207397424 /nfs/dbraw/zinc/39/74/24/207397424.db2.gz FXAILLPDWARYCL-QHCPKHFHSA-N 2 2 365.521 4.430 50 0 FIAALP c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000012593254 207397430 /nfs/dbraw/zinc/39/74/30/207397430.db2.gz FXAILLPDWARYCL-QHCPKHFHSA-N 2 2 365.521 4.430 50 0 FIAALP c1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000012593254 207397437 /nfs/dbraw/zinc/39/74/37/207397437.db2.gz FXAILLPDWARYCL-QHCPKHFHSA-N 2 2 365.521 4.430 50 0 FIAALP C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042453708 208293302 /nfs/dbraw/zinc/29/33/02/208293302.db2.gz OAGWZDRDYVQDGG-UHFFFAOYSA-N 2 2 362.905 4.131 50 0 FIAALP C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042453708 208293309 /nfs/dbraw/zinc/29/33/09/208293309.db2.gz OAGWZDRDYVQDGG-UHFFFAOYSA-N 2 2 362.905 4.131 50 0 FIAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000095355294 209024491 /nfs/dbraw/zinc/02/44/91/209024491.db2.gz IYNMVBWGMLWPQE-GOSISDBHSA-N 2 2 357.498 4.080 50 0 FIAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000095355294 209024494 /nfs/dbraw/zinc/02/44/94/209024494.db2.gz IYNMVBWGMLWPQE-GOSISDBHSA-N 2 2 357.498 4.080 50 0 FIAALP Cc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000082083330 132193876 /nfs/dbraw/zinc/19/38/76/132193876.db2.gz MOKMOIBKJDDZEL-HXUWFJFHSA-N 2 2 361.493 4.031 50 0 FIAALP Clc1ccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000000757771 132378366 /nfs/dbraw/zinc/37/83/66/132378366.db2.gz DFKXFCOAJZEVPN-UHFFFAOYSA-N 2 2 369.940 4.127 50 0 FIAALP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cn1 ZINC000082107370 527682435 /nfs/dbraw/zinc/68/24/35/527682435.db2.gz MYFSWBINBRHVBL-INIZCTEOSA-N 2 2 364.415 4.087 50 0 FIAALP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cn1 ZINC000082107370 527682437 /nfs/dbraw/zinc/68/24/37/527682437.db2.gz MYFSWBINBRHVBL-INIZCTEOSA-N 2 2 364.415 4.087 50 0 FIAALP Clc1ccc2c(NCc3ccc(C[NH+]4CCOCC4)cc3)cc[nH+]c2c1 ZINC000018061485 570806876 /nfs/dbraw/zinc/80/68/76/570806876.db2.gz NXOLIDYFWZLBIS-UHFFFAOYSA-N 2 2 367.880 4.333 50 0 FIAALP Cc1ccccc1-c1cc(O)c2c(c1)C[NH+](CC[C@H]1CCC[N@H+]1C)CCO2 ZINC000067769801 571149364 /nfs/dbraw/zinc/14/93/64/571149364.db2.gz KWBORWJHLBUXCN-HXUWFJFHSA-N 2 2 366.505 4.046 50 0 FIAALP Cc1ccccc1-c1cc(O)c2c(c1)C[NH+](CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC000067769801 571149366 /nfs/dbraw/zinc/14/93/66/571149366.db2.gz KWBORWJHLBUXCN-HXUWFJFHSA-N 2 2 366.505 4.046 50 0 FIAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CC[C@H]1CCC[NH+]1C)CCO2 ZINC000067769801 571149368 /nfs/dbraw/zinc/14/93/68/571149368.db2.gz KWBORWJHLBUXCN-HXUWFJFHSA-N 2 2 366.505 4.046 50 0 FIAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CC[C@H]1CCC[NH+]1C)CCO2 ZINC000067769801 571149370 /nfs/dbraw/zinc/14/93/70/571149370.db2.gz KWBORWJHLBUXCN-HXUWFJFHSA-N 2 2 366.505 4.046 50 0 FIAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000091468403 571239932 /nfs/dbraw/zinc/23/99/32/571239932.db2.gz COIVOYXVEGUSOB-AWEZNQCLSA-N 2 2 355.379 4.441 50 0 FIAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000091468403 571239934 /nfs/dbraw/zinc/23/99/34/571239934.db2.gz COIVOYXVEGUSOB-AWEZNQCLSA-N 2 2 355.379 4.441 50 0 FIAALP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cc1 ZINC000055099732 571319881 /nfs/dbraw/zinc/31/98/81/571319881.db2.gz TYWABVNURZWTPH-HSZRJFAPSA-N 2 2 368.496 4.322 50 0 FIAALP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cc1 ZINC000055099732 571319882 /nfs/dbraw/zinc/31/98/82/571319882.db2.gz TYWABVNURZWTPH-HSZRJFAPSA-N 2 2 368.496 4.322 50 0 FIAALP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cc1 ZINC000055099732 571319883 /nfs/dbraw/zinc/31/98/83/571319883.db2.gz TYWABVNURZWTPH-HSZRJFAPSA-N 2 2 368.496 4.322 50 0 FIAALP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cc1 ZINC000055099732 571319884 /nfs/dbraw/zinc/31/98/84/571319884.db2.gz TYWABVNURZWTPH-HSZRJFAPSA-N 2 2 368.496 4.322 50 0 FIAALP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002561 209166789 /nfs/dbraw/zinc/16/67/89/209166789.db2.gz ZXJCGYDYWHXRHF-LQWHRVPQSA-N 2 2 368.521 4.393 50 0 FIAALP Cc1c(C)n(C2CCCCC2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000009421156 207270777 /nfs/dbraw/zinc/27/07/77/207270777.db2.gz CBXWENHITKAKAL-UHFFFAOYSA-N 2 2 352.486 4.252 50 0 FIAALP c1cn(Cc2ccncc2)c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH+]1 ZINC000091906415 132204610 /nfs/dbraw/zinc/20/46/10/132204610.db2.gz AXIVXLFABCTZKX-IBGZPJMESA-N 2 2 369.472 4.259 50 0 FIAALP CC(C)c1cccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)[nH+]1 ZINC000095389205 132210454 /nfs/dbraw/zinc/21/04/54/132210454.db2.gz ZYYWANLTZCTEGY-SFHVURJKSA-N 2 2 361.493 4.229 50 0 FIAALP COc1cc(C[NH+]2CCC(c3[nH+]ccn3CC3CCC3)CC2)cc(OC)c1 ZINC000091650277 522368362 /nfs/dbraw/zinc/36/83/62/522368362.db2.gz HQZZBEQSUJXYIO-UHFFFAOYSA-N 2 2 369.509 4.080 50 0 FIAALP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000019789884 526750284 /nfs/dbraw/zinc/75/02/84/526750284.db2.gz SPJGISMCBUWCBS-KRWDZBQOSA-N 2 2 356.495 4.353 50 0 FIAALP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000019789884 526750290 /nfs/dbraw/zinc/75/02/90/526750290.db2.gz SPJGISMCBUWCBS-KRWDZBQOSA-N 2 2 356.495 4.353 50 0 FIAALP Cc1nc([C@H](C)[N@H+](C)Cc2ccc(OCCn3cc[nH+]c3)cc2)c(C)s1 ZINC000216541348 527058148 /nfs/dbraw/zinc/05/81/48/527058148.db2.gz XEXFLRIFXUJNPT-HNNXBMFYSA-N 2 2 370.522 4.228 50 0 FIAALP Cc1nc([C@H](C)[N@@H+](C)Cc2ccc(OCCn3cc[nH+]c3)cc2)c(C)s1 ZINC000216541348 527058152 /nfs/dbraw/zinc/05/81/52/527058152.db2.gz XEXFLRIFXUJNPT-HNNXBMFYSA-N 2 2 370.522 4.228 50 0 FIAALP CCCn1cc[nH+]c1CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000215572150 568077546 /nfs/dbraw/zinc/07/75/46/568077546.db2.gz HLEHGTSNGJOKGH-HSZRJFAPSA-N 2 2 366.553 4.171 50 0 FIAALP CCCn1cc[nH+]c1CN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000215572150 568077547 /nfs/dbraw/zinc/07/75/47/568077547.db2.gz HLEHGTSNGJOKGH-HSZRJFAPSA-N 2 2 366.553 4.171 50 0 FIAALP C[C@@H](c1ccc(-c2ccc(C[NH+]3CCOCC3)cn2)cc1)[NH+]1CCCCC1 ZINC000216038048 568102108 /nfs/dbraw/zinc/10/21/08/568102108.db2.gz PFIIMDQLIDYCNA-IBGZPJMESA-N 2 2 365.521 4.128 50 0 FIAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CCC[NH+]2CCCC2)cc1 ZINC000001305166 570496946 /nfs/dbraw/zinc/49/69/46/570496946.db2.gz SIZWTOKQGYBCEV-UHFFFAOYSA-N 2 2 374.488 4.451 50 0 FIAALP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000209930100 570526388 /nfs/dbraw/zinc/52/63/88/570526388.db2.gz PMVUKWUXUVWXEP-BJKOFHAPSA-N 2 2 358.485 4.192 50 0 FIAALP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000209930100 570526389 /nfs/dbraw/zinc/52/63/89/570526389.db2.gz PMVUKWUXUVWXEP-BJKOFHAPSA-N 2 2 358.485 4.192 50 0 FIAALP COc1cccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000002394389 571321292 /nfs/dbraw/zinc/32/12/92/571321292.db2.gz GGZIUOCPEYNTJD-UHFFFAOYSA-N 2 2 364.493 4.143 50 0 FIAALP COc1ccc2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)ccc2c1 ZINC000030651826 571347212 /nfs/dbraw/zinc/34/72/12/571347212.db2.gz RYEHULZPWFJIBZ-UHFFFAOYSA-N 2 2 357.457 4.383 50 0 FIAALP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000007984043 571358032 /nfs/dbraw/zinc/35/80/32/571358032.db2.gz CRAALDQSGPIAFK-UHFFFAOYSA-N 2 2 360.933 4.233 50 0 FIAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022936162 211372196 /nfs/dbraw/zinc/37/21/96/211372196.db2.gz WRRDOFRUTLFLDI-FQEVSTJZSA-N 2 2 358.913 4.493 50 0 FIAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022936162 211372203 /nfs/dbraw/zinc/37/22/03/211372203.db2.gz WRRDOFRUTLFLDI-FQEVSTJZSA-N 2 2 358.913 4.493 50 0 FIAALP C[N@@H+]1CCc2c(sc3c2C[NH2+][C@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000020865065 211297602 /nfs/dbraw/zinc/29/76/02/211297602.db2.gz OXWWUZSLGXMFTD-LJQANCHMSA-N 2 2 369.921 4.373 50 0 FIAALP C[N@H+]1CCc2c(sc3c2C[NH2+][C@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000020865065 211297605 /nfs/dbraw/zinc/29/76/05/211297605.db2.gz OXWWUZSLGXMFTD-LJQANCHMSA-N 2 2 369.921 4.373 50 0 FIAALP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643374 221265531 /nfs/dbraw/zinc/26/55/31/221265531.db2.gz IGUVZIWATROVGZ-GOSISDBHSA-N 2 2 361.489 4.337 50 0 FIAALP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643374 221265532 /nfs/dbraw/zinc/26/55/32/221265532.db2.gz IGUVZIWATROVGZ-GOSISDBHSA-N 2 2 361.489 4.337 50 0 FIAALP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643374 221265535 /nfs/dbraw/zinc/26/55/35/221265535.db2.gz IGUVZIWATROVGZ-GOSISDBHSA-N 2 2 361.489 4.337 50 0 FIAALP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643374 221265538 /nfs/dbraw/zinc/26/55/38/221265538.db2.gz IGUVZIWATROVGZ-GOSISDBHSA-N 2 2 361.489 4.337 50 0 FIAALP Clc1ccccc1OC1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000077379843 132182641 /nfs/dbraw/zinc/18/26/41/132182641.db2.gz DOMFKEXCTJCNPV-UHFFFAOYSA-N 2 2 368.868 4.028 50 0 FIAALP c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH+]1 ZINC000092066357 132206067 /nfs/dbraw/zinc/20/60/67/132206067.db2.gz YZVBYMIENDWIRJ-LJQANCHMSA-N 2 2 369.472 4.259 50 0 FIAALP C[NH+](C)CC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000020573261 521787037 /nfs/dbraw/zinc/78/70/37/521787037.db2.gz OMVACMSEFZLKAW-PKOBYXMFSA-N 2 2 366.977 4.245 50 0 FIAALP CN1CC[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)[C@@H](c2ccccc2)C1 ZINC000216496322 523909350 /nfs/dbraw/zinc/90/93/50/523909350.db2.gz UEGVOUNRKVEKEG-JOCHJYFZSA-N 2 2 369.578 4.223 50 0 FIAALP CN1CC[N@@H+](Cc2cc(C[NH+]3CCCCC3)cs2)[C@@H](c2ccccc2)C1 ZINC000216496322 523909354 /nfs/dbraw/zinc/90/93/54/523909354.db2.gz UEGVOUNRKVEKEG-JOCHJYFZSA-N 2 2 369.578 4.223 50 0 FIAALP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cn1 ZINC000082107371 527681527 /nfs/dbraw/zinc/68/15/27/527681527.db2.gz MYFSWBINBRHVBL-MRXNPFEDSA-N 2 2 364.415 4.087 50 0 FIAALP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cn1 ZINC000082107371 527681528 /nfs/dbraw/zinc/68/15/28/527681528.db2.gz MYFSWBINBRHVBL-MRXNPFEDSA-N 2 2 364.415 4.087 50 0 FIAALP c1cc([C@H]2CCCCO2)sc1C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000215347010 568065039 /nfs/dbraw/zinc/06/50/39/568065039.db2.gz ITOYJKDYMYGRPY-GOSISDBHSA-N 2 2 366.596 4.003 50 0 FIAALP C[N@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1cnc(C2CCCCC2)nc1 ZINC000216202501 568112102 /nfs/dbraw/zinc/11/21/02/568112102.db2.gz HWPBSYRZOFNTAC-UHFFFAOYSA-N 2 2 350.510 4.102 50 0 FIAALP C[N@@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1cnc(C2CCCCC2)nc1 ZINC000216202501 568112103 /nfs/dbraw/zinc/11/21/03/568112103.db2.gz HWPBSYRZOFNTAC-UHFFFAOYSA-N 2 2 350.510 4.102 50 0 FIAALP C[NH+](Cc1ccc2c(c1)C[N@@H+](C)C2)Cc1cnc(C2CCCCC2)nc1 ZINC000216202501 568112104 /nfs/dbraw/zinc/11/21/04/568112104.db2.gz HWPBSYRZOFNTAC-UHFFFAOYSA-N 2 2 350.510 4.102 50 0 FIAALP C[NH+](Cc1ccc2c(c1)C[N@H+](C)C2)Cc1cnc(C2CCCCC2)nc1 ZINC000216202501 568112105 /nfs/dbraw/zinc/11/21/05/568112105.db2.gz HWPBSYRZOFNTAC-UHFFFAOYSA-N 2 2 350.510 4.102 50 0 FIAALP Cc1ccc(C[NH+]2CCC(c3[nH+]ccn3Cc3cscn3)CC2)cc1C ZINC000091974117 570444093 /nfs/dbraw/zinc/44/40/93/570444093.db2.gz VPUBMIKOIMOTSW-UHFFFAOYSA-N 2 2 366.534 4.384 50 0 FIAALP CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000005023387 570576623 /nfs/dbraw/zinc/57/66/23/570576623.db2.gz LHEQFSJXURJKAM-UHFFFAOYSA-N 2 2 353.510 4.466 50 0 FIAALP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000012074594 570716441 /nfs/dbraw/zinc/71/64/41/570716441.db2.gz YIDKAGBKJQLYQZ-FQEVSTJZSA-N 2 2 372.553 4.243 50 0 FIAALP CCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000012074594 570716443 /nfs/dbraw/zinc/71/64/43/570716443.db2.gz YIDKAGBKJQLYQZ-FQEVSTJZSA-N 2 2 372.553 4.243 50 0 FIAALP Cc1cccc(C)c1Oc1ncccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000012448121 570746751 /nfs/dbraw/zinc/74/67/51/570746751.db2.gz HMRXEHGIBIPXTQ-UHFFFAOYSA-N 2 2 353.510 4.453 50 0 FIAALP COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000040091399 571016874 /nfs/dbraw/zinc/01/68/74/571016874.db2.gz MEOZCKUBACRDNB-UHFFFAOYSA-N 2 2 357.457 4.383 50 0 FIAALP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229845169 571095313 /nfs/dbraw/zinc/09/53/13/571095313.db2.gz JVJPAORAUCDFDI-CVEARBPZSA-N 2 2 374.916 4.259 50 0 FIAALP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229845169 571095315 /nfs/dbraw/zinc/09/53/15/571095315.db2.gz JVJPAORAUCDFDI-CVEARBPZSA-N 2 2 374.916 4.259 50 0 FIAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000075093168 571154482 /nfs/dbraw/zinc/15/44/82/571154482.db2.gz JAEVPYZXJAIERU-OFNKIYASSA-N 2 2 364.533 4.160 50 0 FIAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000075093168 571154483 /nfs/dbraw/zinc/15/44/83/571154483.db2.gz JAEVPYZXJAIERU-OFNKIYASSA-N 2 2 364.533 4.160 50 0 FIAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000075093167 571154509 /nfs/dbraw/zinc/15/45/09/571154509.db2.gz JAEVPYZXJAIERU-REWPJTCUSA-N 2 2 364.533 4.160 50 0 FIAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000075093167 571154510 /nfs/dbraw/zinc/15/45/10/571154510.db2.gz JAEVPYZXJAIERU-REWPJTCUSA-N 2 2 364.533 4.160 50 0 FIAALP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000019865483 211258666 /nfs/dbraw/zinc/25/86/66/211258666.db2.gz VFZCHBMRNKYGDO-QFIPXVFZSA-N 2 2 362.517 4.343 50 0 FIAALP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000019865483 211258672 /nfs/dbraw/zinc/25/86/72/211258672.db2.gz VFZCHBMRNKYGDO-QFIPXVFZSA-N 2 2 362.517 4.343 50 0 FIAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1C[C@@H](C)C[N@H+](C)CC ZINC000065425729 221217427 /nfs/dbraw/zinc/21/74/27/221217427.db2.gz NKLWIFGIRHJNON-KRWDZBQOSA-N 2 2 351.498 4.021 50 0 FIAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1C[C@@H](C)C[N@@H+](C)CC ZINC000065425729 221217428 /nfs/dbraw/zinc/21/74/28/221217428.db2.gz NKLWIFGIRHJNON-KRWDZBQOSA-N 2 2 351.498 4.021 50 0 FIAALP CC(C)c1cccc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH+]1 ZINC000091390684 132201203 /nfs/dbraw/zinc/20/12/03/132201203.db2.gz LCNJBJSICODQTN-LJQANCHMSA-N 2 2 361.493 4.229 50 0 FIAALP Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000097082218 222157234 /nfs/dbraw/zinc/15/72/34/222157234.db2.gz PITJSIYFBMZVMN-OAHLLOKOSA-N 2 2 368.868 4.123 50 0 FIAALP c1coc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCCCC2)c1 ZINC000154000673 526570395 /nfs/dbraw/zinc/57/03/95/526570395.db2.gz XJLCLZLVFAWBOQ-NRFANRHFSA-N 2 2 359.558 4.193 50 0 FIAALP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000012074591 570716699 /nfs/dbraw/zinc/71/66/99/570716699.db2.gz YIDKAGBKJQLYQZ-HXUWFJFHSA-N 2 2 372.553 4.243 50 0 FIAALP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000012074591 570716702 /nfs/dbraw/zinc/71/67/02/570716702.db2.gz YIDKAGBKJQLYQZ-HXUWFJFHSA-N 2 2 372.553 4.243 50 0 FIAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000023248924 571237576 /nfs/dbraw/zinc/23/75/76/571237576.db2.gz IQZVAIKLSVCURN-QHCPKHFHSA-N 2 2 374.532 4.172 50 0 FIAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000023248924 571237579 /nfs/dbraw/zinc/23/75/79/571237579.db2.gz IQZVAIKLSVCURN-QHCPKHFHSA-N 2 2 374.532 4.172 50 0 FIAALP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)c1nnc(-c2ccccc2)o1 ZINC000012739484 220023774 /nfs/dbraw/zinc/02/37/74/220023774.db2.gz IYIVUMUMOKOSKF-QGZVFWFLSA-N 2 2 362.477 4.183 50 0 FIAALP Brc1ccc2c(c1)[nH+]ccc2N1CCc2c([nH+]cn2C2CC2)C1 ZINC000095397829 532966817 /nfs/dbraw/zinc/96/68/17/532966817.db2.gz MMHMCOHHIGPFOH-UHFFFAOYSA-N 2 2 369.266 4.091 50 0 FIAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH2+]C(C)(C)C)cc1 ZINC000001208885 210334853 /nfs/dbraw/zinc/33/48/53/210334853.db2.gz HYYSHRYLGUSOGW-UHFFFAOYSA-N 2 2 362.477 4.353 50 0 FIAALP CCOc1cccc(C[NH2+]C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000071947027 221389507 /nfs/dbraw/zinc/38/95/07/221389507.db2.gz BXGPSOXYWYFOGW-QFIPXVFZSA-N 2 2 354.494 4.021 50 0 FIAALP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000095507899 132212967 /nfs/dbraw/zinc/21/29/67/132212967.db2.gz NSCYXJRKQBHNLL-HNNXBMFYSA-N 2 2 370.884 4.115 50 0 FIAALP Cc1[nH+]ccn1CC1CC[NH+](Cc2c(Cl)ccc(O)c2Cl)CC1 ZINC000215063393 568047845 /nfs/dbraw/zinc/04/78/45/568047845.db2.gz WVHRJPFQBOBWOA-UHFFFAOYSA-N 2 2 354.281 4.116 50 0 FIAALP CSCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000011955982 570602942 /nfs/dbraw/zinc/60/29/42/570602942.db2.gz YSSSPJPEGWRPCI-IBGZPJMESA-N 2 2 354.510 4.006 50 0 FIAALP CSCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000011955982 570602946 /nfs/dbraw/zinc/60/29/46/570602946.db2.gz YSSSPJPEGWRPCI-IBGZPJMESA-N 2 2 354.510 4.006 50 0 FIAALP CSCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011955982 570602950 /nfs/dbraw/zinc/60/29/50/570602950.db2.gz YSSSPJPEGWRPCI-IBGZPJMESA-N 2 2 354.510 4.006 50 0 FIAALP CSCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011955982 570602955 /nfs/dbraw/zinc/60/29/55/570602955.db2.gz YSSSPJPEGWRPCI-IBGZPJMESA-N 2 2 354.510 4.006 50 0 FIAALP CC(C)n1cc[nH+]c1C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000244716193 571115112 /nfs/dbraw/zinc/11/51/12/571115112.db2.gz LKHLFLWMLYZOMM-UHFFFAOYSA-N 2 2 374.916 4.326 50 0 FIAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4cnc(-c5ccco5)nc4)CC3)[nH]c21 ZINC000072152394 571174662 /nfs/dbraw/zinc/17/46/62/571174662.db2.gz HGUCJLGNPVYZBH-UHFFFAOYSA-N 2 2 373.460 4.301 50 0 FIAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4cnc(-c5ccco5)nc4)CC3)[nH+]c21 ZINC000072152394 571174664 /nfs/dbraw/zinc/17/46/64/571174664.db2.gz HGUCJLGNPVYZBH-UHFFFAOYSA-N 2 2 373.460 4.301 50 0 FIAALP CC1(C)C[C@@H](c2[nH+]ccn2CCCc2[nH]c3ccc(F)cc3[nH+]2)CCO1 ZINC000072411243 571192101 /nfs/dbraw/zinc/19/21/01/571192101.db2.gz JCLPOOAFKBQJJF-AWEZNQCLSA-N 2 2 356.445 4.204 50 0 FIAALP c1nc(C2CCCCC2)ncc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077471759 571212905 /nfs/dbraw/zinc/21/29/05/571212905.db2.gz SAEGJUJDQSIHPR-NRFANRHFSA-N 2 2 356.558 4.365 50 0 FIAALP c1nc(C2CCCCC2)ncc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077471759 571212907 /nfs/dbraw/zinc/21/29/07/571212907.db2.gz SAEGJUJDQSIHPR-NRFANRHFSA-N 2 2 356.558 4.365 50 0 FIAALP FC(F)SCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000007003016 571256944 /nfs/dbraw/zinc/25/69/44/571256944.db2.gz VWNGHXBOUQDCPN-UHFFFAOYSA-N 2 2 366.477 4.490 50 0 FIAALP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1OC ZINC000057995767 221096793 /nfs/dbraw/zinc/09/67/93/221096793.db2.gz LWZMSXFVIDBKMA-UHFFFAOYSA-N 2 2 374.912 4.111 50 0 FIAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1C[C@H](C)C[N@H+](C)CC ZINC000065425731 221217022 /nfs/dbraw/zinc/21/70/22/221217022.db2.gz NKLWIFGIRHJNON-QGZVFWFLSA-N 2 2 351.498 4.021 50 0 FIAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1C[C@H](C)C[N@@H+](C)CC ZINC000065425731 221217025 /nfs/dbraw/zinc/21/70/25/221217025.db2.gz NKLWIFGIRHJNON-QGZVFWFLSA-N 2 2 351.498 4.021 50 0 FIAALP CCCc1nc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc(C)[nH+]1 ZINC000095515263 132213609 /nfs/dbraw/zinc/21/36/09/132213609.db2.gz UCEVKTSAYOKGOM-UHFFFAOYSA-N 2 2 358.917 4.150 50 0 FIAALP C[C@@H]1CN(c2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)c[nH+]2)CCO1 ZINC000052245270 136124268 /nfs/dbraw/zinc/12/42/68/136124268.db2.gz SZFABUNKXHQZEL-CQSZACIVSA-N 2 2 368.868 4.120 50 0 FIAALP CC(C)c1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000215419597 568069296 /nfs/dbraw/zinc/06/92/96/568069296.db2.gz PUAHRKHOEIRKRU-SFHVURJKSA-N 2 2 351.454 4.106 50 0 FIAALP CC(C)c1noc([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000215419597 568069297 /nfs/dbraw/zinc/06/92/97/568069297.db2.gz PUAHRKHOEIRKRU-SFHVURJKSA-N 2 2 351.454 4.106 50 0 FIAALP Cc1nc2ccccn2c1C[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215893369 568094456 /nfs/dbraw/zinc/09/44/56/568094456.db2.gz WOSBARSIFCQHOJ-UHFFFAOYSA-N 2 2 368.550 4.322 50 0 FIAALP Cc1nc2ccccn2c1C[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215893369 568094457 /nfs/dbraw/zinc/09/44/57/568094457.db2.gz WOSBARSIFCQHOJ-UHFFFAOYSA-N 2 2 368.550 4.322 50 0 FIAALP c1cn(CC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c([C@@H]2CCOC2)[nH+]1 ZINC000072468511 571198324 /nfs/dbraw/zinc/19/83/24/571198324.db2.gz ZRIAIEPFPLHTDL-OFLPRAFFSA-N 2 2 350.466 4.237 50 0 FIAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022935985 211371997 /nfs/dbraw/zinc/37/19/97/211371997.db2.gz YYFWEWXUWSEXBN-LJQANCHMSA-N 2 2 358.913 4.493 50 0 FIAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022935985 211372003 /nfs/dbraw/zinc/37/20/03/211372003.db2.gz YYFWEWXUWSEXBN-LJQANCHMSA-N 2 2 358.913 4.493 50 0 FIAALP Cc1noc(C)c1[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000065370541 221204175 /nfs/dbraw/zinc/20/41/75/221204175.db2.gz YMWBILZVFJVBTD-OAQYLSRUSA-N 2 2 353.510 4.135 50 0 FIAALP Cc1noc(C)c1[C@H]1CCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000065370541 221204177 /nfs/dbraw/zinc/20/41/77/221204177.db2.gz YMWBILZVFJVBTD-OAQYLSRUSA-N 2 2 353.510 4.135 50 0 FIAALP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643375 221265603 /nfs/dbraw/zinc/26/56/03/221265603.db2.gz IGUVZIWATROVGZ-SFHVURJKSA-N 2 2 361.489 4.337 50 0 FIAALP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643375 221265605 /nfs/dbraw/zinc/26/56/05/221265605.db2.gz IGUVZIWATROVGZ-SFHVURJKSA-N 2 2 361.489 4.337 50 0 FIAALP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643375 221265607 /nfs/dbraw/zinc/26/56/07/221265607.db2.gz IGUVZIWATROVGZ-SFHVURJKSA-N 2 2 361.489 4.337 50 0 FIAALP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643375 221265609 /nfs/dbraw/zinc/26/56/09/221265609.db2.gz IGUVZIWATROVGZ-SFHVURJKSA-N 2 2 361.489 4.337 50 0 FIAALP C(=C/c1ccco1)\C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000067588699 221261239 /nfs/dbraw/zinc/26/12/39/221261239.db2.gz XNQWMFCESZJKLD-UZHKBWCJSA-N 2 2 350.506 4.323 50 0 FIAALP C(=C/c1ccco1)\C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000067588699 221261240 /nfs/dbraw/zinc/26/12/40/221261240.db2.gz XNQWMFCESZJKLD-UZHKBWCJSA-N 2 2 350.506 4.323 50 0 FIAALP C(=C/c1ccco1)\C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000067588699 221261241 /nfs/dbraw/zinc/26/12/41/221261241.db2.gz XNQWMFCESZJKLD-UZHKBWCJSA-N 2 2 350.506 4.323 50 0 FIAALP C(=C/c1ccco1)\C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000067588699 221261242 /nfs/dbraw/zinc/26/12/42/221261242.db2.gz XNQWMFCESZJKLD-UZHKBWCJSA-N 2 2 350.506 4.323 50 0 FIAALP Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000067894770 221302627 /nfs/dbraw/zinc/30/26/27/221302627.db2.gz UEJOGNZOVFTFHS-QGZVFWFLSA-N 2 2 363.461 4.223 50 0 FIAALP Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000067894770 221302629 /nfs/dbraw/zinc/30/26/29/221302629.db2.gz UEJOGNZOVFTFHS-QGZVFWFLSA-N 2 2 363.461 4.223 50 0 FIAALP C[NH+](C)Cc1csc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000097413319 222180995 /nfs/dbraw/zinc/18/09/95/222180995.db2.gz QJHDNYILMGEHFC-LJQANCHMSA-N 2 2 354.523 4.413 50 0 FIAALP C[NH+](C)Cc1csc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000097413319 222180998 /nfs/dbraw/zinc/18/09/98/222180998.db2.gz QJHDNYILMGEHFC-LJQANCHMSA-N 2 2 354.523 4.413 50 0 FIAALP Cc1nc([C@@H](C)[N@H+](C)Cc2ccc(OCCn3cc[nH+]c3)cc2)c(C)s1 ZINC000216541312 527024758 /nfs/dbraw/zinc/02/47/58/527024758.db2.gz XEXFLRIFXUJNPT-OAHLLOKOSA-N 2 2 370.522 4.228 50 0 FIAALP Cc1nc([C@@H](C)[N@@H+](C)Cc2ccc(OCCn3cc[nH+]c3)cc2)c(C)s1 ZINC000216541312 527024762 /nfs/dbraw/zinc/02/47/62/527024762.db2.gz XEXFLRIFXUJNPT-OAHLLOKOSA-N 2 2 370.522 4.228 50 0 FIAALP C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000215333106 568064370 /nfs/dbraw/zinc/06/43/70/568064370.db2.gz KAZKFVDSPJVIBG-QHCPKHFHSA-N 3 2 360.505 4.271 50 0 FIAALP C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000215333106 568064371 /nfs/dbraw/zinc/06/43/71/568064371.db2.gz KAZKFVDSPJVIBG-QHCPKHFHSA-N 3 2 360.505 4.271 50 0 FIAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000095355295 570452605 /nfs/dbraw/zinc/45/26/05/570452605.db2.gz IYNMVBWGMLWPQE-SFHVURJKSA-N 2 2 357.498 4.080 50 0 FIAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000095355295 570452606 /nfs/dbraw/zinc/45/26/06/570452606.db2.gz IYNMVBWGMLWPQE-SFHVURJKSA-N 2 2 357.498 4.080 50 0 FIAALP COc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3[nH+]2)cc1 ZINC000004115975 570576877 /nfs/dbraw/zinc/57/68/77/570576877.db2.gz BNSPARFXXMWQKK-UHFFFAOYSA-N 2 2 374.488 4.451 50 0 FIAALP c1nc(C2CCCCC2)ncc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077471758 571212936 /nfs/dbraw/zinc/21/29/36/571212936.db2.gz SAEGJUJDQSIHPR-OAQYLSRUSA-N 2 2 356.558 4.365 50 0 FIAALP c1nc(C2CCCCC2)ncc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077471758 571212937 /nfs/dbraw/zinc/21/29/37/571212937.db2.gz SAEGJUJDQSIHPR-OAQYLSRUSA-N 2 2 356.558 4.365 50 0 FIAALP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cc1 ZINC000055099730 571319867 /nfs/dbraw/zinc/31/98/67/571319867.db2.gz TYWABVNURZWTPH-QHCPKHFHSA-N 2 2 368.496 4.322 50 0 FIAALP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cc1 ZINC000055099730 571319868 /nfs/dbraw/zinc/31/98/68/571319868.db2.gz TYWABVNURZWTPH-QHCPKHFHSA-N 2 2 368.496 4.322 50 0 FIAALP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cc1 ZINC000055099730 571319869 /nfs/dbraw/zinc/31/98/69/571319869.db2.gz TYWABVNURZWTPH-QHCPKHFHSA-N 2 2 368.496 4.322 50 0 FIAALP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cc1 ZINC000055099730 571319870 /nfs/dbraw/zinc/31/98/70/571319870.db2.gz TYWABVNURZWTPH-QHCPKHFHSA-N 2 2 368.496 4.322 50 0 FIAALP C[C@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)[nH+]cn1CCCC[NH3+] ZINC000065492730 221225193 /nfs/dbraw/zinc/22/51/93/221225193.db2.gz WGXUBSWAJHTCDO-GOSISDBHSA-N 2 2 357.542 4.409 50 0 FIAALP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095372470 570456863 /nfs/dbraw/zinc/45/68/63/570456863.db2.gz VSSAXAMXDGPPCQ-RRGNZLCHSA-N 2 2 364.518 4.281 50 0 FIAALP C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095372470 570456865 /nfs/dbraw/zinc/45/68/65/570456865.db2.gz VSSAXAMXDGPPCQ-RRGNZLCHSA-N 2 2 364.518 4.281 50 0 FIAALP Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095378351 570457734 /nfs/dbraw/zinc/45/77/34/570457734.db2.gz YBZMXCIMLZGOGM-CQSZACIVSA-N 2 2 374.460 4.046 50 0 FIAALP Fc1ccc(F)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095378351 570457738 /nfs/dbraw/zinc/45/77/38/570457738.db2.gz YBZMXCIMLZGOGM-CQSZACIVSA-N 2 2 374.460 4.046 50 0 FIAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c(C)c1 ZINC000095391954 570461322 /nfs/dbraw/zinc/46/13/22/570461322.db2.gz WHTPUYBECQFACU-LJQANCHMSA-N 2 2 366.534 4.384 50 0 FIAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c(C)c1 ZINC000095391954 570461324 /nfs/dbraw/zinc/46/13/24/570461324.db2.gz WHTPUYBECQFACU-LJQANCHMSA-N 2 2 366.534 4.384 50 0 FIAALP Clc1ccccc1C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004140875 570578689 /nfs/dbraw/zinc/57/86/89/570578689.db2.gz NPMMDFRBFIAALJ-UHFFFAOYSA-N 2 2 369.940 4.127 50 0 FIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cn1 ZINC000180033662 570694826 /nfs/dbraw/zinc/69/48/26/570694826.db2.gz PPFMCNIPUWSJCH-HXUWFJFHSA-N 2 2 352.869 4.470 50 0 FIAALP Cc1c(C)n(-c2ccccc2C)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000006664749 571240182 /nfs/dbraw/zinc/24/01/82/571240182.db2.gz WWSCMQBNYRMHPA-UHFFFAOYSA-N 2 2 360.465 4.044 50 0 FIAALP CCOc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+](CC)CC)cc1 ZINC000001235404 210338438 /nfs/dbraw/zinc/33/84/38/210338438.db2.gz YSEALEMUCUQFLV-UHFFFAOYSA-N 2 2 366.509 4.389 50 0 FIAALP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000058029785 221097732 /nfs/dbraw/zinc/09/77/32/221097732.db2.gz AWOVTPKTDHJBHM-UHFFFAOYSA-N 2 2 374.912 4.111 50 0 FIAALP Cc1ccccc1-c1cc(O)c2c(c1)C[NH+](CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC000067769797 221283295 /nfs/dbraw/zinc/28/32/95/221283295.db2.gz KWBORWJHLBUXCN-FQEVSTJZSA-N 2 2 366.505 4.046 50 0 FIAALP Cc1ccccc1-c1cc(O)c2c(c1)C[NH+](CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000067769797 221283299 /nfs/dbraw/zinc/28/32/99/221283299.db2.gz KWBORWJHLBUXCN-FQEVSTJZSA-N 2 2 366.505 4.046 50 0 FIAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CC[C@@H]1CCC[NH+]1C)CCO2 ZINC000067769797 221283300 /nfs/dbraw/zinc/28/33/00/221283300.db2.gz KWBORWJHLBUXCN-FQEVSTJZSA-N 2 2 366.505 4.046 50 0 FIAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CC[C@@H]1CCC[NH+]1C)CCO2 ZINC000067769797 221283304 /nfs/dbraw/zinc/28/33/04/221283304.db2.gz KWBORWJHLBUXCN-FQEVSTJZSA-N 2 2 366.505 4.046 50 0 FIAALP c1cn(Cc2ccncc2)c([C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)[nH+]1 ZINC000091986968 132205311 /nfs/dbraw/zinc/20/53/11/132205311.db2.gz KYBDRPZFIRACRB-HXUWFJFHSA-N 2 2 369.472 4.259 50 0 FIAALP CC(C)c1cccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)[nH+]1 ZINC000095389206 132210403 /nfs/dbraw/zinc/21/04/03/132210403.db2.gz ZYYWANLTZCTEGY-GOSISDBHSA-N 2 2 361.493 4.229 50 0 FIAALP COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000095507898 132212868 /nfs/dbraw/zinc/21/28/68/132212868.db2.gz NSCYXJRKQBHNLL-OAHLLOKOSA-N 2 2 370.884 4.115 50 0 FIAALP Cc1ccc[nH+]c1N1CC[NH+](Cc2ccc([C@H]3CCCCO3)s2)CC1 ZINC000072162622 136143242 /nfs/dbraw/zinc/14/32/42/136143242.db2.gz SXWYPHXUWXWNCL-GOSISDBHSA-N 2 2 357.523 4.015 50 0 FIAALP C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000089930002 524300866 /nfs/dbraw/zinc/30/08/66/524300866.db2.gz MCKROGIYCHBFCP-YOEHRIQHSA-N 2 2 356.857 4.275 50 0 FIAALP C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000089930002 524300873 /nfs/dbraw/zinc/30/08/73/524300873.db2.gz MCKROGIYCHBFCP-YOEHRIQHSA-N 2 2 356.857 4.275 50 0 FIAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000216013067 568100649 /nfs/dbraw/zinc/10/06/49/568100649.db2.gz OONTWIALAOURRV-HNNXBMFYSA-N 2 2 356.470 4.062 50 0 FIAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000216013067 568100650 /nfs/dbraw/zinc/10/06/50/568100650.db2.gz OONTWIALAOURRV-HNNXBMFYSA-N 2 2 356.470 4.062 50 0 FIAALP C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356118 568546115 /nfs/dbraw/zinc/54/61/15/568546115.db2.gz DADZPOFIDZMKLN-CQSZACIVSA-N 2 2 356.267 4.486 50 0 FIAALP CCn1cc[nH+]c1C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000092082037 570447374 /nfs/dbraw/zinc/44/73/74/570447374.db2.gz YUWWQRWQGUDNNY-UHFFFAOYSA-N 2 2 355.379 4.441 50 0 FIAALP CCOc1ccccc1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000004744584 570604533 /nfs/dbraw/zinc/60/45/33/570604533.db2.gz IQGVPAYVSGDVLW-UHFFFAOYSA-N 2 2 350.506 4.108 50 0 FIAALP CCOc1ccccc1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000004744584 570604538 /nfs/dbraw/zinc/60/45/38/570604538.db2.gz IQGVPAYVSGDVLW-UHFFFAOYSA-N 2 2 350.506 4.108 50 0 FIAALP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000084667732 571095508 /nfs/dbraw/zinc/09/55/08/571095508.db2.gz JVJPAORAUCDFDI-JKSUJKDBSA-N 2 2 374.916 4.259 50 0 FIAALP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000084667732 571095511 /nfs/dbraw/zinc/09/55/11/571095511.db2.gz JVJPAORAUCDFDI-JKSUJKDBSA-N 2 2 374.916 4.259 50 0 FIAALP COCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)o1 ZINC000055099408 571116199 /nfs/dbraw/zinc/11/61/99/571116199.db2.gz PNWUMMVFFXSNIH-JOCHJYFZSA-N 2 2 372.484 4.053 50 0 FIAALP COCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)o1 ZINC000055099408 571116201 /nfs/dbraw/zinc/11/62/01/571116201.db2.gz PNWUMMVFFXSNIH-JOCHJYFZSA-N 2 2 372.484 4.053 50 0 FIAALP COCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055099408 571116203 /nfs/dbraw/zinc/11/62/03/571116203.db2.gz PNWUMMVFFXSNIH-JOCHJYFZSA-N 2 2 372.484 4.053 50 0 FIAALP COCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055099408 571116205 /nfs/dbraw/zinc/11/62/05/571116205.db2.gz PNWUMMVFFXSNIH-JOCHJYFZSA-N 2 2 372.484 4.053 50 0 FIAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+][C@@H](C)Cc2ccccc2)c1C ZINC000000754598 210267291 /nfs/dbraw/zinc/26/72/91/210267291.db2.gz YHPPORWARGLPBZ-INIZCTEOSA-N 2 2 361.489 4.265 50 0 FIAALP CC(=O)c1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000012706217 220019508 /nfs/dbraw/zinc/01/95/08/220019508.db2.gz JRSSFAYQFFNANL-HXUWFJFHSA-N 2 2 370.562 4.337 50 0 FIAALP CC(=O)c1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000012706217 220019512 /nfs/dbraw/zinc/01/95/12/220019512.db2.gz JRSSFAYQFFNANL-HXUWFJFHSA-N 2 2 370.562 4.337 50 0 FIAALP CC(=O)c1cc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cs1 ZINC000012706217 220019515 /nfs/dbraw/zinc/01/95/15/220019515.db2.gz JRSSFAYQFFNANL-HXUWFJFHSA-N 2 2 370.562 4.337 50 0 FIAALP CC(=O)c1cc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cs1 ZINC000012706217 220019518 /nfs/dbraw/zinc/01/95/18/220019518.db2.gz JRSSFAYQFFNANL-HXUWFJFHSA-N 2 2 370.562 4.337 50 0 FIAALP Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCC[NH+](C)C ZINC000021797989 211325081 /nfs/dbraw/zinc/32/50/81/211325081.db2.gz DPZPAULXZBOCIP-UHFFFAOYSA-N 2 2 371.488 4.369 50 0 FIAALP C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(C[NH+]2CCn3cccc3[C@@H]2C)cc1 ZINC000015415648 211129392 /nfs/dbraw/zinc/12/93/92/211129392.db2.gz APEIFEBSZIHGDM-BGYRXZFFSA-N 2 2 374.532 4.443 50 0 FIAALP C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(C[NH+]2CCn3cccc3[C@@H]2C)cc1 ZINC000015415648 211129397 /nfs/dbraw/zinc/12/93/97/211129397.db2.gz APEIFEBSZIHGDM-BGYRXZFFSA-N 2 2 374.532 4.443 50 0 FIAALP C[C@@H]1c2cccn2CC[NH+]1Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000015415648 211129400 /nfs/dbraw/zinc/12/94/00/211129400.db2.gz APEIFEBSZIHGDM-BGYRXZFFSA-N 2 2 374.532 4.443 50 0 FIAALP C[C@@H]1c2cccn2CC[NH+]1Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000015415648 211129403 /nfs/dbraw/zinc/12/94/03/211129403.db2.gz APEIFEBSZIHGDM-BGYRXZFFSA-N 2 2 374.532 4.443 50 0 FIAALP Oc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979963 211111824 /nfs/dbraw/zinc/11/18/24/211111824.db2.gz FAZGXDYZWBDOII-JOCHJYFZSA-N 2 2 372.459 4.159 50 0 FIAALP Oc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979963 211111830 /nfs/dbraw/zinc/11/18/30/211111830.db2.gz FAZGXDYZWBDOII-JOCHJYFZSA-N 2 2 372.459 4.159 50 0 FIAALP Oc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979963 211111833 /nfs/dbraw/zinc/11/18/33/211111833.db2.gz FAZGXDYZWBDOII-JOCHJYFZSA-N 2 2 372.459 4.159 50 0 FIAALP Oc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979963 211111837 /nfs/dbraw/zinc/11/18/37/211111837.db2.gz FAZGXDYZWBDOII-JOCHJYFZSA-N 2 2 372.459 4.159 50 0 FIAALP Cc1[nH+]cc(-c2c(-c3ccccc3)ncn2CC[NH+](C(C)C)C(C)C)n1C ZINC000065397312 221211416 /nfs/dbraw/zinc/21/14/16/221211416.db2.gz KIXVVIHUMQLQOP-UHFFFAOYSA-N 2 2 365.525 4.378 50 0 FIAALP c1cn(Cc2ccncc2)c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH+]1 ZINC000091906417 132204694 /nfs/dbraw/zinc/20/46/94/132204694.db2.gz AXIVXLFABCTZKX-LJQANCHMSA-N 2 2 369.472 4.259 50 0 FIAALP C[C@H]1CN(c2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)c[nH+]2)CCO1 ZINC000052245272 136124328 /nfs/dbraw/zinc/12/43/28/136124328.db2.gz SZFABUNKXHQZEL-AWEZNQCLSA-N 2 2 368.868 4.120 50 0 FIAALP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)cs1 ZINC000082108017 526862054 /nfs/dbraw/zinc/86/20/54/526862054.db2.gz URHUPUPUTLVJCR-SFHVURJKSA-N 2 2 352.507 4.076 50 0 FIAALP Cc1nc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)cs1 ZINC000082108017 526862057 /nfs/dbraw/zinc/86/20/57/526862057.db2.gz URHUPUPUTLVJCR-SFHVURJKSA-N 2 2 352.507 4.076 50 0 FIAALP c1coc([C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCCC2)c1 ZINC000022934054 570803211 /nfs/dbraw/zinc/80/32/11/570803211.db2.gz SLJDKNNRKFJUPL-JOCHJYFZSA-N 2 2 367.537 4.061 50 0 FIAALP c1coc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCCCC2)c1 ZINC000022934054 570803213 /nfs/dbraw/zinc/80/32/13/570803213.db2.gz SLJDKNNRKFJUPL-JOCHJYFZSA-N 2 2 367.537 4.061 50 0 FIAALP c1cn(CCOc2ccccc2C[N@@H+]2CCCC[C@H]2c2ccccn2)c[nH+]1 ZINC000072166442 571176746 /nfs/dbraw/zinc/17/67/46/571176746.db2.gz SHFUUFJBDGCHHJ-NRFANRHFSA-N 2 2 362.477 4.084 50 0 FIAALP c1cn(CCOc2ccccc2C[N@H+]2CCCC[C@H]2c2ccccn2)c[nH+]1 ZINC000072166442 571176747 /nfs/dbraw/zinc/17/67/47/571176747.db2.gz SHFUUFJBDGCHHJ-NRFANRHFSA-N 2 2 362.477 4.084 50 0 FIAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000091468402 571239855 /nfs/dbraw/zinc/23/98/55/571239855.db2.gz COIVOYXVEGUSOB-CQSZACIVSA-N 2 2 355.379 4.441 50 0 FIAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000091468402 571239856 /nfs/dbraw/zinc/23/98/56/571239856.db2.gz COIVOYXVEGUSOB-CQSZACIVSA-N 2 2 355.379 4.441 50 0 FIAALP Cc1c(C)n(-c2ccc(C)cc2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000006664464 571240007 /nfs/dbraw/zinc/24/00/07/571240007.db2.gz RLAMWSXAAYKMHR-UHFFFAOYSA-N 2 2 360.465 4.044 50 0 FIAALP C[C@@H]1c2cccn2CC[NH+]1Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000253415330 571312598 /nfs/dbraw/zinc/31/25/98/571312598.db2.gz APEIFEBSZIHGDM-WOJBJXKFSA-N 2 2 374.532 4.443 50 0 FIAALP C[C@@H]1c2cccn2CC[NH+]1Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000253415330 571312600 /nfs/dbraw/zinc/31/26/00/571312600.db2.gz APEIFEBSZIHGDM-WOJBJXKFSA-N 2 2 374.532 4.443 50 0 FIAALP CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(OC)cc3)[nH+]c21 ZINC000001303450 219394345 /nfs/dbraw/zinc/39/43/45/219394345.db2.gz LJJBSNKOALXSJR-UHFFFAOYSA-N 2 2 362.477 4.306 50 0 FIAALP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271119 221064741 /nfs/dbraw/zinc/06/47/41/221064741.db2.gz WRFPAEYCRBRDLQ-OAQYLSRUSA-N 2 2 360.448 4.354 50 0 FIAALP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271119 221064743 /nfs/dbraw/zinc/06/47/43/221064743.db2.gz WRFPAEYCRBRDLQ-OAQYLSRUSA-N 2 2 360.448 4.354 50 0 FIAALP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271119 221064745 /nfs/dbraw/zinc/06/47/45/221064745.db2.gz WRFPAEYCRBRDLQ-OAQYLSRUSA-N 2 2 360.448 4.354 50 0 FIAALP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271119 221064747 /nfs/dbraw/zinc/06/47/47/221064747.db2.gz WRFPAEYCRBRDLQ-OAQYLSRUSA-N 2 2 360.448 4.354 50 0 FIAALP c1cn(Cc2ccccn2)c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH+]1 ZINC000095372606 132208839 /nfs/dbraw/zinc/20/88/39/132208839.db2.gz CJDHZANVOXAECO-SFHVURJKSA-N 2 2 369.472 4.259 50 0 FIAALP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002564 222149277 /nfs/dbraw/zinc/14/92/77/222149277.db2.gz ZXJCGYDYWHXRHF-WFXMLNOXSA-N 2 2 368.521 4.393 50 0 FIAALP c1cc([C@@H]2CCCCO2)sc1C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000215346966 568065074 /nfs/dbraw/zinc/06/50/74/568065074.db2.gz ITOYJKDYMYGRPY-SFHVURJKSA-N 2 2 366.596 4.003 50 0 FIAALP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)cc(OC)c1 ZINC000095378807 570458403 /nfs/dbraw/zinc/45/84/03/570458403.db2.gz OHECHBVMPBYVGO-LJQANCHMSA-N 2 2 369.509 4.080 50 0 FIAALP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)cc(OC)c1 ZINC000095378807 570458406 /nfs/dbraw/zinc/45/84/06/570458406.db2.gz OHECHBVMPBYVGO-LJQANCHMSA-N 2 2 369.509 4.080 50 0 FIAALP Cc1cc(C)c(NC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)c(C)[nH+]1 ZINC000095498132 570462295 /nfs/dbraw/zinc/46/22/95/570462295.db2.gz IYXLSSHTMGYVGW-UHFFFAOYSA-N 2 2 366.509 4.267 50 0 FIAALP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000072302912 570497067 /nfs/dbraw/zinc/49/70/67/570497067.db2.gz DVPXMLAOUGSEDM-UHFFFAOYSA-N 2 2 371.488 4.273 50 0 FIAALP c1ccc(C[NH2+]CC(C[NH2+]Cc2ccccc2)OCc2ccccc2)cc1 ZINC000071788913 571309175 /nfs/dbraw/zinc/30/91/75/571309175.db2.gz VEWAVIZCCYAISZ-UHFFFAOYSA-N 2 2 360.501 4.151 50 0 FIAALP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCC(C)C)C3)C2)c1OC ZINC000012711549 220019462 /nfs/dbraw/zinc/01/94/62/220019462.db2.gz VHHPWQPITRZTBU-JOCHJYFZSA-N 2 2 360.542 4.038 50 0 FIAALP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CCC(C)C)C3)C2)c1OC ZINC000012711549 220019466 /nfs/dbraw/zinc/01/94/66/220019466.db2.gz VHHPWQPITRZTBU-JOCHJYFZSA-N 2 2 360.542 4.038 50 0 FIAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CCC(C)C)C3)C2)c1OC ZINC000012711549 220019469 /nfs/dbraw/zinc/01/94/69/220019469.db2.gz VHHPWQPITRZTBU-JOCHJYFZSA-N 2 2 360.542 4.038 50 0 FIAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCC(C)C)C3)C2)c1OC ZINC000012711549 220019472 /nfs/dbraw/zinc/01/94/72/220019472.db2.gz VHHPWQPITRZTBU-JOCHJYFZSA-N 2 2 360.542 4.038 50 0 FIAALP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)c1nnc(-c2ccccc2)o1 ZINC000012739486 220023288 /nfs/dbraw/zinc/02/32/88/220023288.db2.gz IYIVUMUMOKOSKF-KRWDZBQOSA-N 2 2 362.477 4.183 50 0 FIAALP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br ZINC000022777828 220398908 /nfs/dbraw/zinc/39/89/08/220398908.db2.gz UYRDBXOCKKMCNB-AWEZNQCLSA-N 2 2 356.267 4.486 50 0 FIAALP CCC[C@@H](Cn1cnc(-c2ccccc2)c1-c1c[nH+]cn1CC)[NH+](C)C ZINC000065370037 221203505 /nfs/dbraw/zinc/20/35/05/221203505.db2.gz LEBOSQATELEKPB-SFHVURJKSA-N 2 2 351.498 4.164 50 0 FIAALP CCC[C@H](Cn1cnc(-c2ccccc2)c1-c1c[nH+]cn1CC)[NH+](C)C ZINC000065370038 221203568 /nfs/dbraw/zinc/20/35/68/221203568.db2.gz LEBOSQATELEKPB-GOSISDBHSA-N 2 2 351.498 4.164 50 0 FIAALP CCc1[nH+]ccn1CC[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067490344 221257339 /nfs/dbraw/zinc/25/73/39/221257339.db2.gz NUCTWMVDLTXCHM-UHFFFAOYSA-N 2 2 372.472 4.312 50 0 FIAALP CCc1[nH+]ccn1CC[N@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067490344 221257341 /nfs/dbraw/zinc/25/73/41/221257341.db2.gz NUCTWMVDLTXCHM-UHFFFAOYSA-N 2 2 372.472 4.312 50 0 FIAALP COc1cc(-c2cccs2)cc2c1OCC[N@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000067714541 221276463 /nfs/dbraw/zinc/27/64/63/221276463.db2.gz PAKAFSDOOTZWIZ-GOSISDBHSA-N 2 2 372.534 4.102 50 0 FIAALP COc1cc(-c2cccs2)cc2c1OCC[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000067714541 221276465 /nfs/dbraw/zinc/27/64/65/221276465.db2.gz PAKAFSDOOTZWIZ-GOSISDBHSA-N 2 2 372.534 4.102 50 0 FIAALP COc1cc(-c2cccs2)cc2c1OCC[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC000067714541 221276468 /nfs/dbraw/zinc/27/64/68/221276468.db2.gz PAKAFSDOOTZWIZ-GOSISDBHSA-N 2 2 372.534 4.102 50 0 FIAALP COc1cc(-c2cccs2)cc2c1OCC[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC000067714541 221276470 /nfs/dbraw/zinc/27/64/70/221276470.db2.gz PAKAFSDOOTZWIZ-GOSISDBHSA-N 2 2 372.534 4.102 50 0 FIAALP CC(C)c1cccc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)[nH+]1 ZINC000091548184 132202185 /nfs/dbraw/zinc/20/21/85/132202185.db2.gz OJFXUGDLOXWFQK-UHFFFAOYSA-N 2 2 361.493 4.229 50 0 FIAALP Fc1ccc([C@@H]2CC[N@@H+]2Cc2cccc(OCCCn3cc[nH+]c3)c2)cc1 ZINC000215920693 568095707 /nfs/dbraw/zinc/09/57/07/568095707.db2.gz QRUYLCDMYBPFHP-QFIPXVFZSA-N 2 2 365.452 4.438 50 0 FIAALP Fc1ccc([C@@H]2CC[N@H+]2Cc2cccc(OCCCn3cc[nH+]c3)c2)cc1 ZINC000215920693 568095708 /nfs/dbraw/zinc/09/57/08/568095708.db2.gz QRUYLCDMYBPFHP-QFIPXVFZSA-N 2 2 365.452 4.438 50 0 FIAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c(C)c1 ZINC000095391953 570461344 /nfs/dbraw/zinc/46/13/44/570461344.db2.gz WHTPUYBECQFACU-IBGZPJMESA-N 2 2 366.534 4.384 50 0 FIAALP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c(C)c1 ZINC000095391953 570461345 /nfs/dbraw/zinc/46/13/45/570461345.db2.gz WHTPUYBECQFACU-IBGZPJMESA-N 2 2 366.534 4.384 50 0 FIAALP C[C@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC000095510949 570465205 /nfs/dbraw/zinc/46/52/05/570465205.db2.gz KBFRJHINTROYSH-QGZVFWFLSA-N 2 2 369.513 4.030 50 0 FIAALP C[C@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC000095510949 570465209 /nfs/dbraw/zinc/46/52/09/570465209.db2.gz KBFRJHINTROYSH-QGZVFWFLSA-N 2 2 369.513 4.030 50 0 FIAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022936160 570953713 /nfs/dbraw/zinc/95/37/13/570953713.db2.gz WRRDOFRUTLFLDI-HXUWFJFHSA-N 2 2 358.913 4.493 50 0 FIAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022936160 570953715 /nfs/dbraw/zinc/95/37/15/570953715.db2.gz WRRDOFRUTLFLDI-HXUWFJFHSA-N 2 2 358.913 4.493 50 0 FIAALP Cc1ccc(CCC[NH+]2CCC3(CC[C@@H](COc4cc[nH+]cc4)O3)CC2)o1 ZINC000257191949 1090321118 /nfs/dbraw/zinc/32/11/18/1090321118.db2.gz RWTXWLUCZUMVRH-NRFANRHFSA-N 2 2 370.493 4.008 50 0 FIAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCC(C)C)C3)C2)c1OC ZINC000012711547 220020158 /nfs/dbraw/zinc/02/01/58/220020158.db2.gz VHHPWQPITRZTBU-QFIPXVFZSA-N 2 2 360.542 4.038 50 0 FIAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCC(C)C)C3)C2)c1OC ZINC000012711547 220020161 /nfs/dbraw/zinc/02/01/61/220020161.db2.gz VHHPWQPITRZTBU-QFIPXVFZSA-N 2 2 360.542 4.038 50 0 FIAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCC(C)C)C3)C2)c1OC ZINC000012711547 220020162 /nfs/dbraw/zinc/02/01/62/220020162.db2.gz VHHPWQPITRZTBU-QFIPXVFZSA-N 2 2 360.542 4.038 50 0 FIAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCC(C)C)C3)C2)c1OC ZINC000012711547 220020166 /nfs/dbraw/zinc/02/01/66/220020166.db2.gz VHHPWQPITRZTBU-QFIPXVFZSA-N 2 2 360.542 4.038 50 0 FIAALP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(F)c2F)C3)n1 ZINC000015062810 220144837 /nfs/dbraw/zinc/14/48/37/220144837.db2.gz TVRZZQXGHYMUBK-JOCHJYFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(F)c2F)C3)n1 ZINC000015062810 220144840 /nfs/dbraw/zinc/14/48/40/220144840.db2.gz TVRZZQXGHYMUBK-JOCHJYFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)n1 ZINC000015062810 220144843 /nfs/dbraw/zinc/14/48/43/220144843.db2.gz TVRZZQXGHYMUBK-JOCHJYFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)n1 ZINC000015062810 220144844 /nfs/dbraw/zinc/14/48/44/220144844.db2.gz TVRZZQXGHYMUBK-JOCHJYFZSA-N 2 2 371.475 4.156 50 0 FIAALP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002567 222149303 /nfs/dbraw/zinc/14/93/03/222149303.db2.gz ZXJCGYDYWHXRHF-LVCYWYKZSA-N 2 2 368.521 4.393 50 0 FIAALP CC(C)c1cccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)[nH+]1 ZINC000091645299 519841430 /nfs/dbraw/zinc/84/14/30/519841430.db2.gz OJOJNJMGTXAJMR-LJQANCHMSA-N 2 2 361.493 4.229 50 0 FIAALP C[N@H+](Cc1cnn(-c2ccccc2Cl)c1)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000216233236 568113794 /nfs/dbraw/zinc/11/37/94/568113794.db2.gz LRQWQKCQPYVBQF-UHFFFAOYSA-N 2 2 366.896 4.103 50 0 FIAALP C[N@@H+](Cc1cnn(-c2ccccc2Cl)c1)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000216233236 568113795 /nfs/dbraw/zinc/11/37/95/568113795.db2.gz LRQWQKCQPYVBQF-UHFFFAOYSA-N 2 2 366.896 4.103 50 0 FIAALP C[NH+](Cc1cnn(-c2ccccc2Cl)c1)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000216233236 568113797 /nfs/dbraw/zinc/11/37/97/568113797.db2.gz LRQWQKCQPYVBQF-UHFFFAOYSA-N 2 2 366.896 4.103 50 0 FIAALP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000008373850 570680816 /nfs/dbraw/zinc/68/08/16/570680816.db2.gz DVUFJAUIDAPQOI-UHFFFAOYSA-N 2 2 350.865 4.099 50 0 FIAALP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)CC1 ZINC000032625340 570759894 /nfs/dbraw/zinc/75/98/94/570759894.db2.gz LJSIXDJBHLLWHD-UHFFFAOYSA-N 2 2 352.869 4.384 50 0 FIAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022935988 570953695 /nfs/dbraw/zinc/95/36/95/570953695.db2.gz YYFWEWXUWSEXBN-IBGZPJMESA-N 2 2 358.913 4.493 50 0 FIAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022935988 570953696 /nfs/dbraw/zinc/95/36/96/570953696.db2.gz YYFWEWXUWSEXBN-IBGZPJMESA-N 2 2 358.913 4.493 50 0 FIAALP c1coc(-c2ncc(C[N@H+]3CCC[C@@H](Cc4[nH]c5ccccc5[nH+]4)C3)cn2)c1 ZINC000072147877 571173598 /nfs/dbraw/zinc/17/35/98/571173598.db2.gz QMNARAQPJJIKIB-INIZCTEOSA-N 2 2 373.460 4.068 50 0 FIAALP c1coc(-c2ncc(C[N@@H+]3CCC[C@@H](Cc4[nH]c5ccccc5[nH+]4)C3)cn2)c1 ZINC000072147877 571173600 /nfs/dbraw/zinc/17/36/00/571173600.db2.gz QMNARAQPJJIKIB-INIZCTEOSA-N 2 2 373.460 4.068 50 0 FIAALP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000072428970 571195097 /nfs/dbraw/zinc/19/50/97/571195097.db2.gz BVDQINYHKLAEJD-NRFANRHFSA-N 2 2 374.912 4.021 50 0 FIAALP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000072428970 571195098 /nfs/dbraw/zinc/19/50/98/571195098.db2.gz BVDQINYHKLAEJD-NRFANRHFSA-N 2 2 374.912 4.021 50 0 FIAALP COc1c(F)cc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)cc1Cl ZINC000077521732 571214525 /nfs/dbraw/zinc/21/45/25/571214525.db2.gz KXAQZVDVGVXDRI-MRXNPFEDSA-N 2 2 365.880 4.437 50 0 FIAALP COc1c(F)cc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)cc1Cl ZINC000077521732 571214527 /nfs/dbraw/zinc/21/45/27/571214527.db2.gz KXAQZVDVGVXDRI-MRXNPFEDSA-N 2 2 365.880 4.437 50 0 FIAALP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000022783970 220398362 /nfs/dbraw/zinc/39/83/62/220398362.db2.gz XJCNDGXHTKEXLE-AWEZNQCLSA-N 2 2 356.267 4.486 50 0 FIAALP CCC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1c[nH+]cn1CCOC ZINC000065433133 221219057 /nfs/dbraw/zinc/21/90/57/221219057.db2.gz ZURCSPXNCDDTMB-QGZVFWFLSA-N 2 2 352.482 4.345 50 0 FIAALP C[N@@H+](Cc1cccnc1)C[C@H]1CCCN(c2[nH+]ccc3ccsc32)C1 ZINC000328592757 132371460 /nfs/dbraw/zinc/37/14/60/132371460.db2.gz MVHAMHVVNZVGGD-QGZVFWFLSA-N 2 2 352.507 4.040 50 0 FIAALP C[N@H+](Cc1cccnc1)C[C@H]1CCCN(c2[nH+]ccc3ccsc32)C1 ZINC000328592757 132371461 /nfs/dbraw/zinc/37/14/61/132371461.db2.gz MVHAMHVVNZVGGD-QGZVFWFLSA-N 2 2 352.507 4.040 50 0 FIAALP Fc1ccc(/C=C/C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc1 ZINC000072418513 136145767 /nfs/dbraw/zinc/14/57/67/136145767.db2.gz PSSIILRRMDGAMR-HWKANZROSA-N 2 2 351.469 4.369 50 0 FIAALP Fc1ccc(/C=C/C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc1 ZINC000072418513 136145768 /nfs/dbraw/zinc/14/57/68/136145768.db2.gz PSSIILRRMDGAMR-HWKANZROSA-N 2 2 351.469 4.369 50 0 FIAALP CCc1c(C)[nH+]c(C)nc1N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095354970 536070143 /nfs/dbraw/zinc/07/01/43/536070143.db2.gz JPYOFMGIERKRNH-GOSISDBHSA-N 2 2 353.514 4.036 50 0 FIAALP c1cc(C2CCCC2)sc1C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000215024585 568043000 /nfs/dbraw/zinc/04/30/00/568043000.db2.gz DWICDVBGZMPCCQ-UHFFFAOYSA-N 2 2 350.597 4.419 50 0 FIAALP Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2OCCC[NH+](C)C)no1 ZINC000215921547 568095756 /nfs/dbraw/zinc/09/57/56/568095756.db2.gz OARVBRJVJBUGDP-FQEVSTJZSA-N 2 2 357.498 4.041 50 0 FIAALP Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2OCCC[NH+](C)C)no1 ZINC000215921547 568095757 /nfs/dbraw/zinc/09/57/57/568095757.db2.gz OARVBRJVJBUGDP-FQEVSTJZSA-N 2 2 357.498 4.041 50 0 FIAALP COc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000004741735 570604417 /nfs/dbraw/zinc/60/44/17/570604417.db2.gz YQHUGQJDTSETKT-UHFFFAOYSA-N 2 2 364.493 4.143 50 0 FIAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000023248923 571237490 /nfs/dbraw/zinc/23/74/90/571237490.db2.gz IQZVAIKLSVCURN-HSZRJFAPSA-N 2 2 374.532 4.172 50 0 FIAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000023248923 571237491 /nfs/dbraw/zinc/23/74/91/571237491.db2.gz IQZVAIKLSVCURN-HSZRJFAPSA-N 2 2 374.532 4.172 50 0 FIAALP CN(C)c1cc(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c2ccccc2[nH+]1 ZINC000018149282 220224620 /nfs/dbraw/zinc/22/46/20/220224620.db2.gz UYABOUCOLVSLGJ-UHFFFAOYSA-N 2 2 356.514 4.044 50 0 FIAALP C[N@@H+]1CCc2c(sc3c2C[NH2+][C@@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000020865061 220342990 /nfs/dbraw/zinc/34/29/90/220342990.db2.gz OXWWUZSLGXMFTD-IBGZPJMESA-N 2 2 369.921 4.373 50 0 FIAALP C[N@H+]1CCc2c(sc3c2C[NH2+][C@@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000020865061 220342995 /nfs/dbraw/zinc/34/29/95/220342995.db2.gz OXWWUZSLGXMFTD-IBGZPJMESA-N 2 2 369.921 4.373 50 0 FIAALP CC(C)[C@@H]1CN(Cc2c[nH+]cn2C(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071523731 221349958 /nfs/dbraw/zinc/34/99/58/221349958.db2.gz MAJAASZAENFQTR-QFIPXVFZSA-N 2 2 372.532 4.336 50 0 FIAALP CC(C)[C@@H]1CN(Cc2c[nH+]cn2C(C)C)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071523731 221349961 /nfs/dbraw/zinc/34/99/61/221349961.db2.gz MAJAASZAENFQTR-QFIPXVFZSA-N 2 2 372.532 4.336 50 0 FIAALP Clc1ccccc1N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000023282431 136152618 /nfs/dbraw/zinc/15/26/18/136152618.db2.gz CZQOHKQWENRRMH-UHFFFAOYSA-N 2 2 369.940 4.127 50 0 FIAALP CN1CC[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@@H]1c1ccccc1 ZINC000215359526 568065869 /nfs/dbraw/zinc/06/58/69/568065869.db2.gz IMFKZPTWPYEMSD-JOCHJYFZSA-N 2 2 369.578 4.223 50 0 FIAALP CN1CC[N@@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@@H]1c1ccccc1 ZINC000215359526 568065870 /nfs/dbraw/zinc/06/58/70/568065870.db2.gz IMFKZPTWPYEMSD-JOCHJYFZSA-N 2 2 369.578 4.223 50 0 FIAALP C[N@@H+]1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)C[C@@H]1c1ccccc1 ZINC000215359526 568065871 /nfs/dbraw/zinc/06/58/71/568065871.db2.gz IMFKZPTWPYEMSD-JOCHJYFZSA-N 2 2 369.578 4.223 50 0 FIAALP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095372469 570456793 /nfs/dbraw/zinc/45/67/93/570456793.db2.gz VSSAXAMXDGPPCQ-AMGQUURNSA-N 2 2 364.518 4.281 50 0 FIAALP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095372469 570456796 /nfs/dbraw/zinc/45/67/96/570456796.db2.gz VSSAXAMXDGPPCQ-AMGQUURNSA-N 2 2 364.518 4.281 50 0 FIAALP Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095378350 570457823 /nfs/dbraw/zinc/45/78/23/570457823.db2.gz YBZMXCIMLZGOGM-AWEZNQCLSA-N 2 2 374.460 4.046 50 0 FIAALP Fc1ccc(F)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095378350 570457824 /nfs/dbraw/zinc/45/78/24/570457824.db2.gz YBZMXCIMLZGOGM-AWEZNQCLSA-N 2 2 374.460 4.046 50 0 FIAALP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)cc(OC)c1 ZINC000095378806 570458296 /nfs/dbraw/zinc/45/82/96/570458296.db2.gz OHECHBVMPBYVGO-IBGZPJMESA-N 2 2 369.509 4.080 50 0 FIAALP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)cc(OC)c1 ZINC000095378806 570458298 /nfs/dbraw/zinc/45/82/98/570458298.db2.gz OHECHBVMPBYVGO-IBGZPJMESA-N 2 2 369.509 4.080 50 0 FIAALP Clc1cccc(-c2cc(C[NH2+]C3CC[NH+](Cc4ccco4)CC3)on2)c1 ZINC000584899441 571315887 /nfs/dbraw/zinc/31/58/87/571315887.db2.gz QFPIAMDHOHIBMQ-UHFFFAOYSA-N 2 2 371.868 4.342 50 0 FIAALP Fc1ccc([C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022028434 220373903 /nfs/dbraw/zinc/37/39/03/220373903.db2.gz LNPSQSBSSAFBPW-GOSISDBHSA-N 2 2 352.375 4.229 50 0 FIAALP Fc1ccc([C@@H](c2ccc(C(F)(F)F)cc2)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022028434 220373906 /nfs/dbraw/zinc/37/39/06/220373906.db2.gz LNPSQSBSSAFBPW-GOSISDBHSA-N 2 2 352.375 4.229 50 0 FIAALP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271808 221064070 /nfs/dbraw/zinc/06/40/70/221064070.db2.gz OMZVQTURFYWCAU-QFIPXVFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271808 221064073 /nfs/dbraw/zinc/06/40/73/221064073.db2.gz OMZVQTURFYWCAU-QFIPXVFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271808 221064075 /nfs/dbraw/zinc/06/40/75/221064075.db2.gz OMZVQTURFYWCAU-QFIPXVFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271808 221064078 /nfs/dbraw/zinc/06/40/78/221064078.db2.gz OMZVQTURFYWCAU-QFIPXVFZSA-N 2 2 371.475 4.156 50 0 FIAALP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271118 221064567 /nfs/dbraw/zinc/06/45/67/221064567.db2.gz WRFPAEYCRBRDLQ-NRFANRHFSA-N 2 2 360.448 4.354 50 0 FIAALP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271118 221064570 /nfs/dbraw/zinc/06/45/70/221064570.db2.gz WRFPAEYCRBRDLQ-NRFANRHFSA-N 2 2 360.448 4.354 50 0 FIAALP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271118 221064572 /nfs/dbraw/zinc/06/45/72/221064572.db2.gz WRFPAEYCRBRDLQ-NRFANRHFSA-N 2 2 360.448 4.354 50 0 FIAALP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271118 221064575 /nfs/dbraw/zinc/06/45/75/221064575.db2.gz WRFPAEYCRBRDLQ-NRFANRHFSA-N 2 2 360.448 4.354 50 0 FIAALP C[NH+]1CCC([N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067935100 221307265 /nfs/dbraw/zinc/30/72/65/221307265.db2.gz KCNBIEHPQRREGZ-UHFFFAOYSA-N 2 2 372.896 4.001 50 0 FIAALP C[NH+]1CCC([N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067935100 221307268 /nfs/dbraw/zinc/30/72/68/221307268.db2.gz KCNBIEHPQRREGZ-UHFFFAOYSA-N 2 2 372.896 4.001 50 0 FIAALP Cc1ncsc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082137398 527502064 /nfs/dbraw/zinc/50/20/64/527502064.db2.gz QOKPEIZQQAGTGG-GOSISDBHSA-N 2 2 352.507 4.076 50 0 FIAALP Cc1ncsc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082137398 527502067 /nfs/dbraw/zinc/50/20/67/527502067.db2.gz QOKPEIZQQAGTGG-GOSISDBHSA-N 2 2 352.507 4.076 50 0 FIAALP Cc1ccccc1-c1ncc(C[NH+]2CCC(c3[nH+]ccn3C)CC2)s1 ZINC000216050956 568102728 /nfs/dbraw/zinc/10/27/28/568102728.db2.gz TVLIOTZUVJMUBK-UHFFFAOYSA-N 2 2 352.507 4.232 50 0 FIAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000012446085 570746492 /nfs/dbraw/zinc/74/64/92/570746492.db2.gz KLBABEDQADAVDY-LJQANCHMSA-N 2 2 363.465 4.224 50 0 FIAALP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229845159 571095281 /nfs/dbraw/zinc/09/52/81/571095281.db2.gz JVJPAORAUCDFDI-HOTGVXAUSA-N 2 2 374.916 4.259 50 0 FIAALP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229845159 571095283 /nfs/dbraw/zinc/09/52/83/571095283.db2.gz JVJPAORAUCDFDI-HOTGVXAUSA-N 2 2 374.916 4.259 50 0 FIAALP Cc1ccc(-c2ccc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cc2)c(C)[nH+]1 ZINC000426470550 571226527 /nfs/dbraw/zinc/22/65/27/571226527.db2.gz HMKSODQFAABDIW-KRWDZBQOSA-N 2 2 363.505 4.064 50 0 FIAALP Cc1ccc(-c2ccc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)cc2)c(C)[nH+]1 ZINC000426470550 571226528 /nfs/dbraw/zinc/22/65/28/571226528.db2.gz HMKSODQFAABDIW-KRWDZBQOSA-N 2 2 363.505 4.064 50 0 FIAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCCC2)cc1 ZINC000000858822 219331991 /nfs/dbraw/zinc/33/19/91/219331991.db2.gz ZUPRUYKDNMXKSG-UHFFFAOYSA-N 2 2 360.461 4.060 50 0 biogenic FIAALP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000015076371 220147476 /nfs/dbraw/zinc/14/74/76/220147476.db2.gz VVFKKUAXZPSMDX-IBGZPJMESA-N 2 2 374.532 4.496 50 0 FIAALP Cc1noc(C)c1[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000065370540 221204473 /nfs/dbraw/zinc/20/44/73/221204473.db2.gz YMWBILZVFJVBTD-NRFANRHFSA-N 2 2 353.510 4.135 50 0 FIAALP Cc1noc(C)c1[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000065370540 221204475 /nfs/dbraw/zinc/20/44/75/221204475.db2.gz YMWBILZVFJVBTD-NRFANRHFSA-N 2 2 353.510 4.135 50 0 FIAALP c1cn(Cc2cccnc2)c([C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)[nH+]1 ZINC000092080568 132205968 /nfs/dbraw/zinc/20/59/68/132205968.db2.gz FCDRWIQLMINCPL-FQEVSTJZSA-N 2 2 369.472 4.259 50 0 FIAALP c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)[nH+]1 ZINC000092080571 132206015 /nfs/dbraw/zinc/20/60/15/132206015.db2.gz FCDRWIQLMINCPL-HXUWFJFHSA-N 2 2 369.472 4.259 50 0 FIAALP C[NH+](C)Cc1csc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000097413320 222179941 /nfs/dbraw/zinc/17/99/41/222179941.db2.gz QJHDNYILMGEHFC-IBGZPJMESA-N 2 2 354.523 4.413 50 0 FIAALP C[NH+](C)Cc1csc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000097413320 222179944 /nfs/dbraw/zinc/17/99/44/222179944.db2.gz QJHDNYILMGEHFC-IBGZPJMESA-N 2 2 354.523 4.413 50 0 FIAALP C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000241338615 524300598 /nfs/dbraw/zinc/30/05/98/524300598.db2.gz MCKROGIYCHBFCP-WMLDXEAASA-N 2 2 356.857 4.275 50 0 FIAALP C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000241338615 524300605 /nfs/dbraw/zinc/30/06/05/524300605.db2.gz MCKROGIYCHBFCP-WMLDXEAASA-N 2 2 356.857 4.275 50 0 FIAALP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1nnc(-c2ccccc2)o1 ZINC000215509067 568074220 /nfs/dbraw/zinc/07/42/20/568074220.db2.gz VUGMIOVUFZZOFB-UHFFFAOYSA-N 2 2 368.506 4.026 50 0 FIAALP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1nnc(-c2ccccc2)o1 ZINC000215509067 568074221 /nfs/dbraw/zinc/07/42/21/568074221.db2.gz VUGMIOVUFZZOFB-UHFFFAOYSA-N 2 2 368.506 4.026 50 0 FIAALP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)o2)cc1 ZINC000216125150 568107120 /nfs/dbraw/zinc/10/71/20/568107120.db2.gz TUWKWMXPAJVEQO-KRWDZBQOSA-N 2 2 351.450 4.064 50 0 FIAALP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)o2)cc1 ZINC000216125150 568107121 /nfs/dbraw/zinc/10/71/21/568107121.db2.gz TUWKWMXPAJVEQO-KRWDZBQOSA-N 2 2 351.450 4.064 50 0 FIAALP Cc1ccc2nc(C[N@@H+]3CCC[C@H](c4[nH+]ccn4CC4CCC4)C3)cn2c1 ZINC000095380109 570458430 /nfs/dbraw/zinc/45/84/30/570458430.db2.gz OOYVXJWUFWQGFV-IBGZPJMESA-N 2 2 363.509 4.019 50 0 FIAALP Cc1ccc2nc(C[N@H+]3CCC[C@H](c4[nH+]ccn4CC4CCC4)C3)cn2c1 ZINC000095380109 570458432 /nfs/dbraw/zinc/45/84/32/570458432.db2.gz OOYVXJWUFWQGFV-IBGZPJMESA-N 2 2 363.509 4.019 50 0 FIAALP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000209930064 571146267 /nfs/dbraw/zinc/14/62/67/571146267.db2.gz PMVUKWUXUVWXEP-DNQXCXABSA-N 2 2 358.485 4.192 50 0 FIAALP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000209930064 571146269 /nfs/dbraw/zinc/14/62/69/571146269.db2.gz PMVUKWUXUVWXEP-DNQXCXABSA-N 2 2 358.485 4.192 50 0 FIAALP COc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[N@H+](CC3CC3)C4)[nH+]c2c1 ZINC000072407609 571191159 /nfs/dbraw/zinc/19/11/59/571191159.db2.gz LOIVFNJTHFJWAA-HSZRJFAPSA-N 2 2 365.521 4.254 50 0 FIAALP COc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[N@@H+](CC3CC3)C4)[nH+]c2c1 ZINC000072407609 571191160 /nfs/dbraw/zinc/19/11/60/571191160.db2.gz LOIVFNJTHFJWAA-HSZRJFAPSA-N 2 2 365.521 4.254 50 0 FIAALP CC(=O)c1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000012706224 220019553 /nfs/dbraw/zinc/01/95/53/220019553.db2.gz JRSSFAYQFFNANL-FQEVSTJZSA-N 2 2 370.562 4.337 50 0 FIAALP CC(=O)c1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)cs1 ZINC000012706224 220019557 /nfs/dbraw/zinc/01/95/57/220019557.db2.gz JRSSFAYQFFNANL-FQEVSTJZSA-N 2 2 370.562 4.337 50 0 FIAALP CC(=O)c1cc(C[N@@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)cs1 ZINC000012706224 220019559 /nfs/dbraw/zinc/01/95/59/220019559.db2.gz JRSSFAYQFFNANL-FQEVSTJZSA-N 2 2 370.562 4.337 50 0 FIAALP CC(=O)c1cc(C[N@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)cs1 ZINC000012706224 220019561 /nfs/dbraw/zinc/01/95/61/220019561.db2.gz JRSSFAYQFFNANL-FQEVSTJZSA-N 2 2 370.562 4.337 50 0 FIAALP Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979966 220138187 /nfs/dbraw/zinc/13/81/87/220138187.db2.gz FAZGXDYZWBDOII-QFIPXVFZSA-N 2 2 372.459 4.159 50 0 FIAALP Oc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979966 220138190 /nfs/dbraw/zinc/13/81/90/220138190.db2.gz FAZGXDYZWBDOII-QFIPXVFZSA-N 2 2 372.459 4.159 50 0 FIAALP Oc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979966 220138192 /nfs/dbraw/zinc/13/81/92/220138192.db2.gz FAZGXDYZWBDOII-QFIPXVFZSA-N 2 2 372.459 4.159 50 0 FIAALP Oc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979966 220138196 /nfs/dbraw/zinc/13/81/96/220138196.db2.gz FAZGXDYZWBDOII-QFIPXVFZSA-N 2 2 372.459 4.159 50 0 FIAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000019865480 220304319 /nfs/dbraw/zinc/30/43/19/220304319.db2.gz VFZCHBMRNKYGDO-JOCHJYFZSA-N 2 2 362.517 4.343 50 0 FIAALP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000019865480 220304323 /nfs/dbraw/zinc/30/43/23/220304323.db2.gz VFZCHBMRNKYGDO-JOCHJYFZSA-N 2 2 362.517 4.343 50 0 FIAALP COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)o1 ZINC000055099406 221059250 /nfs/dbraw/zinc/05/92/50/221059250.db2.gz PNWUMMVFFXSNIH-QFIPXVFZSA-N 2 2 372.484 4.053 50 0 FIAALP COCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)o1 ZINC000055099406 221059253 /nfs/dbraw/zinc/05/92/53/221059253.db2.gz PNWUMMVFFXSNIH-QFIPXVFZSA-N 2 2 372.484 4.053 50 0 FIAALP COCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055099406 221059256 /nfs/dbraw/zinc/05/92/56/221059256.db2.gz PNWUMMVFFXSNIH-QFIPXVFZSA-N 2 2 372.484 4.053 50 0 FIAALP COCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055099406 221059259 /nfs/dbraw/zinc/05/92/59/221059259.db2.gz PNWUMMVFFXSNIH-QFIPXVFZSA-N 2 2 372.484 4.053 50 0 FIAALP CCCCc1[nH]cc(-c2c(-c3ccccc3)ncn2CC2CC[NH2+]CC2)[nH+]1 ZINC000065373745 221205385 /nfs/dbraw/zinc/20/53/85/221205385.db2.gz CPIIXVRCJSRQKA-UHFFFAOYSA-N 2 2 363.509 4.282 50 0 FIAALP c1cn(CC[N@@H+]2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)c[nH+]1 ZINC000067724969 221277780 /nfs/dbraw/zinc/27/77/80/221277780.db2.gz AEAFMKDVYFQMIW-UHFFFAOYSA-N 2 2 370.456 4.263 50 0 FIAALP c1cn(CC[N@H+]2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)c[nH+]1 ZINC000067724969 221277783 /nfs/dbraw/zinc/27/77/83/221277783.db2.gz AEAFMKDVYFQMIW-UHFFFAOYSA-N 2 2 370.456 4.263 50 0 FIAALP CC(=O)c1cc(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cs1 ZINC000072410608 534818404 /nfs/dbraw/zinc/81/84/04/534818404.db2.gz VCONFNIFEGGLKB-UHFFFAOYSA-N 2 2 369.534 4.289 50 0 FIAALP CC(=O)c1cc(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cs1 ZINC000072410608 534818410 /nfs/dbraw/zinc/81/84/10/534818410.db2.gz VCONFNIFEGGLKB-UHFFFAOYSA-N 2 2 369.534 4.289 50 0 FIAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(CC(C)C)s2)C1 ZINC000091411021 527211586 /nfs/dbraw/zinc/21/15/86/527211586.db2.gz WYHKAXSEMRXDON-ZWKOTPCHSA-N 2 2 372.582 4.075 50 0 FIAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(CC(C)C)s2)C1 ZINC000091411021 527211589 /nfs/dbraw/zinc/21/15/89/527211589.db2.gz WYHKAXSEMRXDON-ZWKOTPCHSA-N 2 2 372.582 4.075 50 0 FIAALP CCCC[NH+](CCCC)CC(=O)Nc1c2c([nH+]c3ccccc31)N(C)CC2 ZINC000002462036 570521466 /nfs/dbraw/zinc/52/14/66/570521466.db2.gz OPQOYUFUFWQEFT-UHFFFAOYSA-N 2 2 368.525 4.068 50 0 FIAALP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000004553794 570596057 /nfs/dbraw/zinc/59/60/57/570596057.db2.gz AMFZOWBHJQOTBS-UHFFFAOYSA-N 2 2 368.521 4.190 50 0 FIAALP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000004553794 570596060 /nfs/dbraw/zinc/59/60/60/570596060.db2.gz AMFZOWBHJQOTBS-UHFFFAOYSA-N 2 2 368.521 4.190 50 0 FIAALP c1coc([C@H](CNC2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCCC2)c1 ZINC000022934050 570803064 /nfs/dbraw/zinc/80/30/64/570803064.db2.gz SLJDKNNRKFJUPL-QFIPXVFZSA-N 2 2 367.537 4.061 50 0 FIAALP c1coc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCCCC2)c1 ZINC000022934050 570803070 /nfs/dbraw/zinc/80/30/70/570803070.db2.gz SLJDKNNRKFJUPL-QFIPXVFZSA-N 2 2 367.537 4.061 50 0 FIAALP CCC[C@@H]1CN(c2cc[nH+]c3c2cccc3C(F)(F)F)C[C@H]1[NH+](C)C ZINC000082087010 571227630 /nfs/dbraw/zinc/22/76/30/571227630.db2.gz LOGCRCHRQHNYGS-CXAGYDPISA-N 2 2 351.416 4.420 50 0 FIAALP