smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[NH2+]CC[NH2+][C@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000022877087 202093755 /nfs/dbraw/zinc/09/37/55/202093755.db2.gz FTZCAWPQOLUZRV-JOCHJYFZSA-N 2 2 334.463 3.295 40 0 EGABLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000125225382 162267829 /nfs/dbraw/zinc/26/78/29/162267829.db2.gz KCPXBZFKGLYEIE-UHFFFAOYSA-N 2 2 326.488 3.405 40 0 EGABLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000125225382 162267832 /nfs/dbraw/zinc/26/78/32/162267832.db2.gz KCPXBZFKGLYEIE-UHFFFAOYSA-N 2 2 326.488 3.405 40 0 EGABLP CCc1nnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000195577387 455987776 /nfs/dbraw/zinc/98/77/76/455987776.db2.gz DSVBGXQXCLBIEQ-HUUCEWRRSA-N 2 2 344.528 3.347 40 0 EGABLP c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[N@@H+](Cc1ccccn1)C2 ZINC000585095519 459823377 /nfs/dbraw/zinc/82/33/77/459823377.db2.gz VCCAYZFOWPTPGM-GOSISDBHSA-N 2 2 347.466 3.412 40 0 EGABLP c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[N@H+](Cc1ccccn1)C2 ZINC000585095519 459823383 /nfs/dbraw/zinc/82/33/83/459823383.db2.gz VCCAYZFOWPTPGM-GOSISDBHSA-N 2 2 347.466 3.412 40 0 EGABLP CCc1[nH]c(C[N@@H+]2CC[C@H](OC)[C@H](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000585279523 459832108 /nfs/dbraw/zinc/83/21/08/459832108.db2.gz ZIKDTIARMWSLSN-MJGOQNOKSA-N 2 2 327.472 3.360 40 0 EGABLP CCc1[nH]c(C[N@H+]2CC[C@H](OC)[C@H](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000585279523 459832111 /nfs/dbraw/zinc/83/21/11/459832111.db2.gz ZIKDTIARMWSLSN-MJGOQNOKSA-N 2 2 327.472 3.360 40 0 EGABLP c1csc(C[N@H+]2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000253588814 244024370 /nfs/dbraw/zinc/02/43/70/244024370.db2.gz UANJHQDFWZZSGJ-OAHLLOKOSA-N 2 2 339.468 3.084 40 0 EGABLP c1csc(C[N@@H+]2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000253588814 244024374 /nfs/dbraw/zinc/02/43/74/244024374.db2.gz UANJHQDFWZZSGJ-OAHLLOKOSA-N 2 2 339.468 3.084 40 0 EGABLP CCOc1cc2c(cc1OCC)C[N@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC000095097531 454196348 /nfs/dbraw/zinc/19/63/48/454196348.db2.gz CQMUZOFNVIFTHH-GOSISDBHSA-N 2 2 332.488 3.374 40 0 EGABLP CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC000095097531 454196357 /nfs/dbraw/zinc/19/63/57/454196357.db2.gz CQMUZOFNVIFTHH-GOSISDBHSA-N 2 2 332.488 3.374 40 0 EGABLP CCC[NH+]1CCC(NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000096434641 454346369 /nfs/dbraw/zinc/34/63/69/454346369.db2.gz RGDVVZIWESJGBI-UHFFFAOYSA-N 2 2 341.459 3.083 40 0 EGABLP CCc1cnc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000096479068 454364274 /nfs/dbraw/zinc/36/42/74/454364274.db2.gz XCQSYRQEIXMOCO-AWEZNQCLSA-N 2 2 330.501 3.416 40 0 EGABLP Cc1nc(COC[C@@H]2C[N@@H+](C3CCCC3)Cc3c[nH+]cn32)cs1 ZINC000248019197 455670530 /nfs/dbraw/zinc/67/05/30/455670530.db2.gz IMLUVXACNQAGEH-KRWDZBQOSA-N 2 2 332.473 3.164 40 0 EGABLP Cc1nc(COC[C@@H]2C[N@H+](C3CCCC3)Cc3c[nH+]cn32)cs1 ZINC000248019197 455670532 /nfs/dbraw/zinc/67/05/32/455670532.db2.gz IMLUVXACNQAGEH-KRWDZBQOSA-N 2 2 332.473 3.164 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134844 456568065 /nfs/dbraw/zinc/56/80/65/456568065.db2.gz NZLKKQREBNZUGH-RTBURBONSA-N 2 2 330.435 3.249 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@H]1C[N@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134844 456568068 /nfs/dbraw/zinc/56/80/68/456568068.db2.gz NZLKKQREBNZUGH-RTBURBONSA-N 2 2 330.435 3.249 40 0 EGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnn(C)c2)s1 ZINC000036740407 202330406 /nfs/dbraw/zinc/33/04/06/202330406.db2.gz WBOUSMZQVVKHQQ-UHFFFAOYSA-N 2 2 329.473 3.079 40 0 EGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnn(C)c2)s1 ZINC000036740407 202330410 /nfs/dbraw/zinc/33/04/10/202330410.db2.gz WBOUSMZQVVKHQQ-UHFFFAOYSA-N 2 2 329.473 3.079 40 0 EGABLP Cc1nc([C@@]2(C)CCC[N@H+](Cc3cscn3)C2)cc2c[nH+]cn21 ZINC000257222355 244188525 /nfs/dbraw/zinc/18/85/25/244188525.db2.gz DSYXUHKAVUQWNF-KRWDZBQOSA-N 2 2 327.457 3.048 40 0 EGABLP Cc1nc([C@@]2(C)CCC[N@@H+](Cc3cscn3)C2)cc2c[nH+]cn21 ZINC000257222355 244188530 /nfs/dbraw/zinc/18/85/30/244188530.db2.gz DSYXUHKAVUQWNF-KRWDZBQOSA-N 2 2 327.457 3.048 40 0 EGABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072355513 203205122 /nfs/dbraw/zinc/20/51/22/203205122.db2.gz MRIIMLWERGELSV-HNNXBMFYSA-N 2 2 325.460 3.347 40 0 EGABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072355513 203205125 /nfs/dbraw/zinc/20/51/25/203205125.db2.gz MRIIMLWERGELSV-HNNXBMFYSA-N 2 2 325.460 3.347 40 0 EGABLP CNc1cc([C@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)cc[nH+]1 ZINC000257271718 244380503 /nfs/dbraw/zinc/38/05/03/244380503.db2.gz MZMINOBYWSEOOP-GOSISDBHSA-N 2 2 338.455 3.162 40 0 EGABLP Cc1cc2[nH+]c(CC(=O)N[C@H](C)C[NH+]3CCCCCC3)[nH]c2c(C)c1 ZINC000019568369 292022805 /nfs/dbraw/zinc/02/28/05/292022805.db2.gz ORJHIEMZPQDNFA-MRXNPFEDSA-N 2 2 342.487 3.103 40 0 EGABLP c1coc(C[NH+]2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096062389 454278916 /nfs/dbraw/zinc/27/89/16/454278916.db2.gz JSGOUAJZUALSDE-GOSISDBHSA-N 2 2 332.469 3.066 40 0 EGABLP c1coc(C[NH+]2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096062389 454278919 /nfs/dbraw/zinc/27/89/19/454278919.db2.gz JSGOUAJZUALSDE-GOSISDBHSA-N 2 2 332.469 3.066 40 0 EGABLP c1coc(C[N@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)c1 ZINC000096062389 454278923 /nfs/dbraw/zinc/27/89/23/454278923.db2.gz JSGOUAJZUALSDE-GOSISDBHSA-N 2 2 332.469 3.066 40 0 EGABLP c1coc(C[N@@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)c1 ZINC000096062389 454278926 /nfs/dbraw/zinc/27/89/26/454278926.db2.gz JSGOUAJZUALSDE-GOSISDBHSA-N 2 2 332.469 3.066 40 0 EGABLP Fc1ccc(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cc1 ZINC000096158988 454295605 /nfs/dbraw/zinc/29/56/05/454295605.db2.gz BOIGALFUYUAYER-UHFFFAOYSA-N 2 2 341.430 3.092 40 0 EGABLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccccn1)C2 ZINC000096189514 454301093 /nfs/dbraw/zinc/30/10/93/454301093.db2.gz RNUQZJZTSBRRRV-UHFFFAOYSA-N 2 2 348.450 3.260 40 0 EGABLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccccn1)C2 ZINC000096189514 454301099 /nfs/dbraw/zinc/30/10/99/454301099.db2.gz RNUQZJZTSBRRRV-UHFFFAOYSA-N 2 2 348.450 3.260 40 0 EGABLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000096189514 454301105 /nfs/dbraw/zinc/30/11/05/454301105.db2.gz RNUQZJZTSBRRRV-UHFFFAOYSA-N 2 2 348.450 3.260 40 0 EGABLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000096189514 454301111 /nfs/dbraw/zinc/30/11/11/454301111.db2.gz RNUQZJZTSBRRRV-UHFFFAOYSA-N 2 2 348.450 3.260 40 0 EGABLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1F)C2 ZINC000096219375 454307591 /nfs/dbraw/zinc/30/75/91/454307591.db2.gz TYWHUOHLMFKQSF-QUCCMNQESA-N 2 2 332.463 3.006 40 0 EGABLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1F)C2 ZINC000096219375 454307598 /nfs/dbraw/zinc/30/75/98/454307598.db2.gz TYWHUOHLMFKQSF-QUCCMNQESA-N 2 2 332.463 3.006 40 0 EGABLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000096219375 454307604 /nfs/dbraw/zinc/30/76/04/454307604.db2.gz TYWHUOHLMFKQSF-QUCCMNQESA-N 2 2 332.463 3.006 40 0 EGABLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000096219375 454307607 /nfs/dbraw/zinc/30/76/07/454307607.db2.gz TYWHUOHLMFKQSF-QUCCMNQESA-N 2 2 332.463 3.006 40 0 EGABLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1cnc2ncccn12 ZINC000245316736 455281684 /nfs/dbraw/zinc/28/16/84/455281684.db2.gz KLRXURUBQSOWPT-YLJYHZDGSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1cnc2ncccn12 ZINC000245316736 455281685 /nfs/dbraw/zinc/28/16/85/455281685.db2.gz KLRXURUBQSOWPT-YLJYHZDGSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1cnc2ncccn12 ZINC000245316736 455281687 /nfs/dbraw/zinc/28/16/87/455281687.db2.gz KLRXURUBQSOWPT-YLJYHZDGSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1cnc2ncccn12 ZINC000245316736 455281691 /nfs/dbraw/zinc/28/16/91/455281691.db2.gz KLRXURUBQSOWPT-YLJYHZDGSA-N 2 2 349.482 3.072 40 0 EGABLP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000078612726 202398603 /nfs/dbraw/zinc/39/86/03/202398603.db2.gz FNDBYAOWMHAEEP-UHFFFAOYSA-N 2 2 333.395 3.454 40 0 EGABLP Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)n(C)n1 ZINC000096081933 454280526 /nfs/dbraw/zinc/28/05/26/454280526.db2.gz UGLYUNRBHCRXEI-YQVWRLOYSA-N 2 2 339.487 3.084 40 0 EGABLP Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)n(C)n1 ZINC000096081933 454280529 /nfs/dbraw/zinc/28/05/29/454280529.db2.gz UGLYUNRBHCRXEI-YQVWRLOYSA-N 2 2 339.487 3.084 40 0 EGABLP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000248172596 455693392 /nfs/dbraw/zinc/69/33/92/455693392.db2.gz VBAZAVVKRLDWON-KDOFPFPSSA-N 2 2 344.528 3.198 40 0 EGABLP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000248172596 455693395 /nfs/dbraw/zinc/69/33/95/455693395.db2.gz VBAZAVVKRLDWON-KDOFPFPSSA-N 2 2 344.528 3.198 40 0 EGABLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000266437475 248300610 /nfs/dbraw/zinc/30/06/10/248300610.db2.gz VMVUCMGSPQHEHB-AWEZNQCLSA-N 2 2 349.438 3.378 40 0 EGABLP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000158005860 455258951 /nfs/dbraw/zinc/25/89/51/455258951.db2.gz VBAZAVVKRLDWON-KSSFIOAISA-N 2 2 344.528 3.198 40 0 EGABLP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000158005860 455258957 /nfs/dbraw/zinc/25/89/57/455258957.db2.gz VBAZAVVKRLDWON-KSSFIOAISA-N 2 2 344.528 3.198 40 0 EGABLP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096205966 454304278 /nfs/dbraw/zinc/30/42/78/454304278.db2.gz QFUJNZILBSMKKM-CRAIPNDOSA-N 2 2 344.484 3.082 40 0 EGABLP Cc1ncsc1C[N@H+]1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096205966 454304282 /nfs/dbraw/zinc/30/42/82/454304282.db2.gz QFUJNZILBSMKKM-CRAIPNDOSA-N 2 2 344.484 3.082 40 0 EGABLP c1cc2n(n1)C[C@@H](CNc1cccc[nH+]1)C[N@@H+](Cc1ccsc1)C2 ZINC000247926753 455656083 /nfs/dbraw/zinc/65/60/83/455656083.db2.gz BAMCECNJBXIIJO-INIZCTEOSA-N 2 2 339.468 3.084 40 0 EGABLP c1cc2n(n1)C[C@@H](CNc1cccc[nH+]1)C[N@H+](Cc1ccsc1)C2 ZINC000247926753 455656087 /nfs/dbraw/zinc/65/60/87/455656087.db2.gz BAMCECNJBXIIJO-INIZCTEOSA-N 2 2 339.468 3.084 40 0 EGABLP c1cc(C[NH+]2CCC3(Cc4[nH+]cc(-c5cccnc5)n4C3)CC2)co1 ZINC000306124704 547459826 /nfs/dbraw/zinc/45/98/26/547459826.db2.gz BWZDBUSGKYCVOZ-UHFFFAOYSA-N 2 2 334.423 3.377 40 0 EGABLP OCC[NH2+]CC[NH2+][C@@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000019365956 202005245 /nfs/dbraw/zinc/00/52/45/202005245.db2.gz FTZCAWPQOLUZRV-QFIPXVFZSA-N 2 2 334.463 3.295 40 0 EGABLP Clc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019349348 202005668 /nfs/dbraw/zinc/00/56/68/202005668.db2.gz QPJMWFNXOIBNRF-QGZVFWFLSA-N 2 2 328.847 3.113 40 0 EGABLP Clc1ccccc1C[N@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019349348 202005671 /nfs/dbraw/zinc/00/56/71/202005671.db2.gz QPJMWFNXOIBNRF-QGZVFWFLSA-N 2 2 328.847 3.113 40 0 EGABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)s1 ZINC000096062464 454278532 /nfs/dbraw/zinc/27/85/32/454278532.db2.gz RNBRFSVBWVBMBL-LJQANCHMSA-N 2 2 343.496 3.180 40 0 EGABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)s1 ZINC000096062464 454278536 /nfs/dbraw/zinc/27/85/36/454278536.db2.gz RNBRFSVBWVBMBL-LJQANCHMSA-N 2 2 343.496 3.180 40 0 EGABLP c1csc(C[N@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)c1 ZINC000096197103 454301741 /nfs/dbraw/zinc/30/17/41/454301741.db2.gz QWZIBFAFNIEOCY-UHFFFAOYSA-N 2 2 339.468 3.010 40 0 EGABLP c1csc(C[N@@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)c1 ZINC000096197103 454301743 /nfs/dbraw/zinc/30/17/43/454301743.db2.gz QWZIBFAFNIEOCY-UHFFFAOYSA-N 2 2 339.468 3.010 40 0 EGABLP c1csc(C[N@@H+]2CCO[C@]3(CCCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096226373 454308440 /nfs/dbraw/zinc/30/84/40/454308440.db2.gz UTJPCEZKOSTZEA-GOSISDBHSA-N 2 2 329.469 3.015 40 0 EGABLP c1csc(C[N@H+]2CCO[C@]3(CCCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096226373 454308444 /nfs/dbraw/zinc/30/84/44/454308444.db2.gz UTJPCEZKOSTZEA-GOSISDBHSA-N 2 2 329.469 3.015 40 0 EGABLP CNc1cc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)[nH+]c(C)n1 ZINC000019758465 202018854 /nfs/dbraw/zinc/01/88/54/202018854.db2.gz ZKWOUXCUZGQXKH-UHFFFAOYSA-N 2 2 328.435 3.421 40 0 EGABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257234510 244222035 /nfs/dbraw/zinc/22/20/35/244222035.db2.gz GTVFQBQCPVFPHP-SFHVURJKSA-N 2 2 333.439 3.175 40 0 EGABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257234510 244222044 /nfs/dbraw/zinc/22/20/44/244222044.db2.gz GTVFQBQCPVFPHP-SFHVURJKSA-N 2 2 333.439 3.175 40 0 EGABLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000035312105 453923591 /nfs/dbraw/zinc/92/35/91/453923591.db2.gz MQMAYLYRJOUAKP-KRWDZBQOSA-N 2 2 337.467 3.268 40 0 EGABLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC(=O)Nc3ccccc32)n1-c1ccccc1 ZINC000084050812 453966305 /nfs/dbraw/zinc/96/63/05/453966305.db2.gz ZQOOKLOZRMZQHH-MRXNPFEDSA-N 2 2 346.434 3.396 40 0 EGABLP c1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccn2)CCO3)c1 ZINC000096048955 454271153 /nfs/dbraw/zinc/27/11/53/454271153.db2.gz YJGQFLXWIGKPBE-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP c1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccn2)CCO3)c1 ZINC000096048955 454271160 /nfs/dbraw/zinc/27/11/60/454271160.db2.gz YJGQFLXWIGKPBE-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP C[N@H+](Cc1cccnc1)Cc1cncc2c1CCN(c1cccc[nH+]1)C2 ZINC000096189525 454301652 /nfs/dbraw/zinc/30/16/52/454301652.db2.gz GSPLFFZAFARMPD-UHFFFAOYSA-N 2 2 345.450 3.066 40 0 EGABLP C[N@@H+](Cc1cccnc1)Cc1cncc2c1CCN(c1cccc[nH+]1)C2 ZINC000096189525 454301659 /nfs/dbraw/zinc/30/16/59/454301659.db2.gz GSPLFFZAFARMPD-UHFFFAOYSA-N 2 2 345.450 3.066 40 0 EGABLP c1ccc(CC[N@@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)cc1 ZINC000096206235 454304576 /nfs/dbraw/zinc/30/45/76/454304576.db2.gz QBAZLPMSPIWKNQ-TZIWHRDSSA-N 2 2 337.467 3.360 40 0 EGABLP c1ccc(CC[N@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)cc1 ZINC000096206235 454304579 /nfs/dbraw/zinc/30/45/79/454304579.db2.gz QBAZLPMSPIWKNQ-TZIWHRDSSA-N 2 2 337.467 3.360 40 0 EGABLP Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000179987511 455111357 /nfs/dbraw/zinc/11/13/57/455111357.db2.gz LUESZUASKSVRPC-QGZVFWFLSA-N 2 2 347.466 3.416 40 0 EGABLP Cn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000179987511 455111362 /nfs/dbraw/zinc/11/13/62/455111362.db2.gz LUESZUASKSVRPC-QGZVFWFLSA-N 2 2 347.466 3.416 40 0 EGABLP Cc1ccc(C[N@@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)s1 ZINC000306134499 456567406 /nfs/dbraw/zinc/56/74/06/456567406.db2.gz NPISUZIGOSGJJX-USXIJHARSA-N 2 2 329.469 3.010 40 0 EGABLP Cc1ccc(C[N@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)s1 ZINC000306134499 456567415 /nfs/dbraw/zinc/56/74/15/456567415.db2.gz NPISUZIGOSGJJX-USXIJHARSA-N 2 2 329.469 3.010 40 0 EGABLP c1cnc2ccc(C[N@@H+]3CCc4nc([C@@H]5CCC[NH2+]5)ncc4C3)cc2c1 ZINC000019347045 202005546 /nfs/dbraw/zinc/00/55/46/202005546.db2.gz FQFIDIIHGRRAPT-FQEVSTJZSA-N 2 2 345.450 3.008 40 0 EGABLP c1cnc2ccc(C[N@H+]3CCc4nc([C@@H]5CCC[NH2+]5)ncc4C3)cc2c1 ZINC000019347045 202005549 /nfs/dbraw/zinc/00/55/49/202005549.db2.gz FQFIDIIHGRRAPT-FQEVSTJZSA-N 2 2 345.450 3.008 40 0 EGABLP CC(C)[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1ccc2c(c1)CCO2 ZINC000091339389 203074400 /nfs/dbraw/zinc/07/44/00/203074400.db2.gz RQTFRRURRNNUJO-IBGZPJMESA-N 2 2 332.488 3.019 40 0 EGABLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1cnc2ncccn12 ZINC000093318756 203185016 /nfs/dbraw/zinc/18/50/16/203185016.db2.gz KLRXURUBQSOWPT-XLIONFOSSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1cnc2ncccn12 ZINC000093318756 203185019 /nfs/dbraw/zinc/18/50/19/203185019.db2.gz KLRXURUBQSOWPT-XLIONFOSSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1cnc2ncccn12 ZINC000093318756 203185022 /nfs/dbraw/zinc/18/50/22/203185022.db2.gz KLRXURUBQSOWPT-XLIONFOSSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1cnc2ncccn12 ZINC000093318756 203185026 /nfs/dbraw/zinc/18/50/26/203185026.db2.gz KLRXURUBQSOWPT-XLIONFOSSA-N 2 2 349.482 3.072 40 0 EGABLP Cc1nc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cs1 ZINC000107228417 204228285 /nfs/dbraw/zinc/22/82/85/204228285.db2.gz QVHISMZMIDJTDG-QAPCUYQASA-N 2 2 344.484 3.082 40 0 EGABLP Cc1nc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cs1 ZINC000107228417 204228287 /nfs/dbraw/zinc/22/82/87/204228287.db2.gz QVHISMZMIDJTDG-QAPCUYQASA-N 2 2 344.484 3.082 40 0 EGABLP FC1(F)CC[N@H+](Cc2ccoc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051141 454272890 /nfs/dbraw/zinc/27/28/90/454272890.db2.gz HKTBKJUXFGVCAM-KRWDZBQOSA-N 2 2 333.382 3.412 40 0 EGABLP FC1(F)CC[N@@H+](Cc2ccoc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051141 454272891 /nfs/dbraw/zinc/27/28/91/454272891.db2.gz HKTBKJUXFGVCAM-KRWDZBQOSA-N 2 2 333.382 3.412 40 0 EGABLP COc1ccc2c(c1)C1(CC[NH+](Cc3cccnc3)CC1)[N@@H+](C)CC2 ZINC000096100217 454282428 /nfs/dbraw/zinc/28/24/28/454282428.db2.gz OOSXHDDZVHDTBG-UHFFFAOYSA-N 2 2 337.467 3.069 40 0 EGABLP COc1ccc2c(c1)C1(CC[NH+](Cc3cccnc3)CC1)[N@H+](C)CC2 ZINC000096100217 454282432 /nfs/dbraw/zinc/28/24/32/454282432.db2.gz OOSXHDDZVHDTBG-UHFFFAOYSA-N 2 2 337.467 3.069 40 0 EGABLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306088 /nfs/dbraw/zinc/30/60/88/454306088.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306093 /nfs/dbraw/zinc/30/60/93/454306093.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306100 /nfs/dbraw/zinc/30/61/00/454306100.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306105 /nfs/dbraw/zinc/30/61/05/454306105.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 2 2 336.483 3.273 40 0 EGABLP FC1(F)CC[N@H+](Cc2ccccn2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096239608 454310598 /nfs/dbraw/zinc/31/05/98/454310598.db2.gz KAHDZXUOMSPHTH-GOSISDBHSA-N 2 2 344.409 3.214 40 0 EGABLP FC1(F)CC[N@@H+](Cc2ccccn2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096239608 454310606 /nfs/dbraw/zinc/31/06/06/454310606.db2.gz KAHDZXUOMSPHTH-GOSISDBHSA-N 2 2 344.409 3.214 40 0 EGABLP Cc1[nH+]cc(-c2nccnc2CC2CC[NH+](C3CCCC3)CC2)n1C ZINC000257245935 282140446 /nfs/dbraw/zinc/14/04/46/282140446.db2.gz IRTITDDOKPDNTF-UHFFFAOYSA-N 2 2 339.487 3.383 40 0 EGABLP CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257217383 244171464 /nfs/dbraw/zinc/17/14/64/244171464.db2.gz CYSCRFIBZAFDGF-LJQANCHMSA-N 2 2 340.471 3.274 40 0 EGABLP CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257217383 244171468 /nfs/dbraw/zinc/17/14/68/244171468.db2.gz CYSCRFIBZAFDGF-LJQANCHMSA-N 2 2 340.471 3.274 40 0 EGABLP C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900251 455251765 /nfs/dbraw/zinc/25/17/65/455251765.db2.gz VTOCZENKZMWWPM-KUHUBIRLSA-N 2 2 325.387 3.396 40 0 EGABLP C[NH+](C)CC(C[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000001591432 452669787 /nfs/dbraw/zinc/66/97/87/452669787.db2.gz VPVNBEBVBPCHMS-UHFFFAOYSA-N 2 2 326.440 3.401 40 0 EGABLP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000057823230 454148523 /nfs/dbraw/zinc/14/85/23/454148523.db2.gz SSEHPLJOTRTCSQ-UHFFFAOYSA-N 2 2 334.479 3.231 40 0 EGABLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNc2cccc[nH+]2)O3)no1 ZINC000096218173 454306966 /nfs/dbraw/zinc/30/69/66/454306966.db2.gz KQPHXZPUCPCRGP-PKOBYXMFSA-N 2 2 342.443 3.004 40 0 EGABLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNc2cccc[nH+]2)O3)no1 ZINC000096218173 454306967 /nfs/dbraw/zinc/30/69/67/454306967.db2.gz KQPHXZPUCPCRGP-PKOBYXMFSA-N 2 2 342.443 3.004 40 0 EGABLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000195556444 455985476 /nfs/dbraw/zinc/98/54/76/455985476.db2.gz PHYIJFVUNLUUES-JKSUJKDBSA-N 2 2 344.425 3.373 40 0 EGABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccn1 ZINC000036740320 213115132 /nfs/dbraw/zinc/11/51/32/213115132.db2.gz JPFPRFKHPBGMHB-UHFFFAOYSA-N 2 2 336.439 3.379 40 0 EGABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccn1 ZINC000036740320 213115135 /nfs/dbraw/zinc/11/51/35/213115135.db2.gz JPFPRFKHPBGMHB-UHFFFAOYSA-N 2 2 336.439 3.379 40 0 EGABLP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257221778 244188465 /nfs/dbraw/zinc/18/84/65/244188465.db2.gz DQLMTTKQWZCDHF-QGZVFWFLSA-N 2 2 327.476 3.305 40 0 EGABLP CC(C)n1nccc1C[N@H+]1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257221778 244188470 /nfs/dbraw/zinc/18/84/70/244188470.db2.gz DQLMTTKQWZCDHF-QGZVFWFLSA-N 2 2 327.476 3.305 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072379229 454294984 /nfs/dbraw/zinc/29/49/84/454294984.db2.gz PTLKIGJTKOBXBL-KRWDZBQOSA-N 2 2 326.444 3.146 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072379229 454294988 /nfs/dbraw/zinc/29/49/88/454294988.db2.gz PTLKIGJTKOBXBL-KRWDZBQOSA-N 2 2 326.444 3.146 40 0 EGABLP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)C[C@@H](Nc1cccc[nH+]1)CCO2 ZINC000096207479 454304318 /nfs/dbraw/zinc/30/43/18/454304318.db2.gz QFUJNZILBSMKKM-MAUKXSAKSA-N 2 2 344.484 3.082 40 0 EGABLP Cc1ncsc1C[N@H+]1CC[C@]2(C1)C[C@@H](Nc1cccc[nH+]1)CCO2 ZINC000096207479 454304320 /nfs/dbraw/zinc/30/43/20/454304320.db2.gz QFUJNZILBSMKKM-MAUKXSAKSA-N 2 2 344.484 3.082 40 0 EGABLP O=C(c1ccc(O)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000097103389 454407125 /nfs/dbraw/zinc/40/71/25/454407125.db2.gz ZQXOOYGZISWXFQ-UHFFFAOYSA-N 2 2 330.472 3.163 40 0 EGABLP Cc1cc(N)cc([C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)[nH+]1 ZINC000257325183 455891750 /nfs/dbraw/zinc/89/17/50/455891750.db2.gz WRVXNZZMHUQSLG-HXUWFJFHSA-N 2 2 334.423 3.094 40 0 EGABLP Cc1cc(N)cc([C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)[nH+]1 ZINC000257325183 455891755 /nfs/dbraw/zinc/89/17/55/455891755.db2.gz WRVXNZZMHUQSLG-HXUWFJFHSA-N 2 2 334.423 3.094 40 0 EGABLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3C)c2)[C@@H](C)C1 ZINC000195540528 455981978 /nfs/dbraw/zinc/98/19/78/455981978.db2.gz YQLYZKMTILYNAT-OXJNMPFZSA-N 3 2 326.488 3.060 40 0 EGABLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3C)c2)[C@@H](C)C1 ZINC000195540528 455981984 /nfs/dbraw/zinc/98/19/84/455981984.db2.gz YQLYZKMTILYNAT-OXJNMPFZSA-N 3 2 326.488 3.060 40 0 EGABLP OC1(c2csc(C[NH+]3CCC3)n2)CC[NH+](CC2CCCCC2)CC1 ZINC000225421605 456081062 /nfs/dbraw/zinc/08/10/62/456081062.db2.gz QHEASQYTRHKGKB-UHFFFAOYSA-N 2 2 349.544 3.213 40 0 biogenic,in-vitro EGABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[N@@H+](Cc1cccnc1)C2 ZINC000585095444 459822187 /nfs/dbraw/zinc/82/21/87/459822187.db2.gz QSPXZGYHBNHBRL-IBGZPJMESA-N 2 2 347.466 3.412 40 0 EGABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[N@H+](Cc1cccnc1)C2 ZINC000585095444 459822189 /nfs/dbraw/zinc/82/21/89/459822189.db2.gz QSPXZGYHBNHBRL-IBGZPJMESA-N 2 2 347.466 3.412 40 0 EGABLP c1cn(-c2nccnc2C2CC[NH+](CCc3ccccc3)CC2)c[nH+]1 ZINC000072350539 216162499 /nfs/dbraw/zinc/16/24/99/216162499.db2.gz MDXYSEOWEFPBQK-UHFFFAOYSA-N 2 2 333.439 3.084 40 0 EGABLP CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072355635 216164185 /nfs/dbraw/zinc/16/41/85/216164185.db2.gz VCBBTXIYMKUZHF-GOSISDBHSA-N 2 2 348.454 3.350 40 0 EGABLP CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072355635 216164186 /nfs/dbraw/zinc/16/41/86/216164186.db2.gz VCBBTXIYMKUZHF-GOSISDBHSA-N 2 2 348.454 3.350 40 0 EGABLP c1cn(-c2cncc([C@@H]3CCC[N@H+]3CCCc3ccccc3)n2)c[nH+]1 ZINC000072378675 216182083 /nfs/dbraw/zinc/18/20/83/216182083.db2.gz GKWHWPSHQQWGHL-IBGZPJMESA-N 2 2 333.439 3.432 40 0 EGABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+]3CCCc3ccccc3)n2)c[nH+]1 ZINC000072378675 216182085 /nfs/dbraw/zinc/18/20/85/216182085.db2.gz GKWHWPSHQQWGHL-IBGZPJMESA-N 2 2 333.439 3.432 40 0 EGABLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(Oc2cnccn2)cc1 ZINC000091892943 218084536 /nfs/dbraw/zinc/08/45/36/218084536.db2.gz QYAZVMFVTWCHDZ-MSOLQXFVSA-N 2 2 338.455 3.328 40 0 EGABLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(Oc2cnccn2)cc1 ZINC000091892943 218084538 /nfs/dbraw/zinc/08/45/38/218084538.db2.gz QYAZVMFVTWCHDZ-MSOLQXFVSA-N 2 2 338.455 3.328 40 0 EGABLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Oc2cnccn2)cc1 ZINC000091892943 218084540 /nfs/dbraw/zinc/08/45/40/218084540.db2.gz QYAZVMFVTWCHDZ-MSOLQXFVSA-N 2 2 338.455 3.328 40 0 EGABLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Oc2cnccn2)cc1 ZINC000091892943 218084541 /nfs/dbraw/zinc/08/45/41/218084541.db2.gz QYAZVMFVTWCHDZ-MSOLQXFVSA-N 2 2 338.455 3.328 40 0 EGABLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000097236306 323215067 /nfs/dbraw/zinc/21/50/67/323215067.db2.gz ZMSKDVHJWRXHMO-LBPRGKRZSA-N 2 2 344.377 3.483 40 0 EGABLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439398 453799987 /nfs/dbraw/zinc/79/99/87/453799987.db2.gz IUTNTJBEHPQFPJ-QGZVFWFLSA-N 2 2 335.536 3.116 40 0 EGABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccc(C)s2)C1 ZINC000096059198 454275828 /nfs/dbraw/zinc/27/58/28/454275828.db2.gz WTFJWYBXACYBKS-MRXNPFEDSA-N 2 2 332.517 3.227 40 0 EGABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccco3)CC1)[N@@H+](C)CC2 ZINC000096100208 454282760 /nfs/dbraw/zinc/28/27/60/454282760.db2.gz MLDZVFJPUIKYQP-UHFFFAOYSA-N 2 2 326.440 3.267 40 0 EGABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccco3)CC1)[N@H+](C)CC2 ZINC000096100208 454282762 /nfs/dbraw/zinc/28/27/62/454282762.db2.gz MLDZVFJPUIKYQP-UHFFFAOYSA-N 2 2 326.440 3.267 40 0 EGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccccc3OC)CC2)[N@@H+]1C ZINC000096206779 454303742 /nfs/dbraw/zinc/30/37/42/454303742.db2.gz WYSSDXQQGHGDPF-SFHVURJKSA-N 2 2 332.488 3.161 40 0 EGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccccc3OC)CC2)[N@H+]1C ZINC000096206779 454303746 /nfs/dbraw/zinc/30/37/46/454303746.db2.gz WYSSDXQQGHGDPF-SFHVURJKSA-N 2 2 332.488 3.161 40 0 EGABLP C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478789 454363733 /nfs/dbraw/zinc/36/37/33/454363733.db2.gz YYWNTCGKVWMCKR-UKRRQHHQSA-N 2 2 338.377 3.160 40 0 EGABLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1cnc2ncccn12 ZINC000245316735 455281815 /nfs/dbraw/zinc/28/18/15/455281815.db2.gz KLRXURUBQSOWPT-FXAWDEMLSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1cnc2ncccn12 ZINC000245316735 455281820 /nfs/dbraw/zinc/28/18/20/455281820.db2.gz KLRXURUBQSOWPT-FXAWDEMLSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1cnc2ncccn12 ZINC000245316735 455281827 /nfs/dbraw/zinc/28/18/27/455281827.db2.gz KLRXURUBQSOWPT-FXAWDEMLSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1cnc2ncccn12 ZINC000245316735 455281829 /nfs/dbraw/zinc/28/18/29/455281829.db2.gz KLRXURUBQSOWPT-FXAWDEMLSA-N 2 2 349.482 3.072 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccccn2)Cc2ccccc21 ZINC000306144568 456569329 /nfs/dbraw/zinc/56/93/29/456569329.db2.gz ZIYOMRAFFJBAEC-FQEVSTJZSA-N 2 2 348.450 3.072 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccccn2)Cc2ccccc21 ZINC000306144568 456569334 /nfs/dbraw/zinc/56/93/34/456569334.db2.gz ZIYOMRAFFJBAEC-FQEVSTJZSA-N 2 2 348.450 3.072 40 0 EGABLP CC(C)n1nccc1C[N@@H+]1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257221777 535146762 /nfs/dbraw/zinc/14/67/62/535146762.db2.gz DQLMTTKQWZCDHF-KRWDZBQOSA-N 2 2 327.476 3.305 40 0 EGABLP CC(C)n1nccc1C[N@H+]1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257221777 535146764 /nfs/dbraw/zinc/14/67/64/535146764.db2.gz DQLMTTKQWZCDHF-KRWDZBQOSA-N 2 2 327.476 3.305 40 0 EGABLP CCn1cc[nH+]c1CN1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019578139 212047422 /nfs/dbraw/zinc/04/74/22/212047422.db2.gz ATVRZHSAWCCNGL-SFHLNBCPSA-N 2 2 338.499 3.403 40 0 EGABLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305455 /nfs/dbraw/zinc/30/54/55/454305455.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305457 /nfs/dbraw/zinc/30/54/57/454305457.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305459 /nfs/dbraw/zinc/30/54/59/454305459.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305460 /nfs/dbraw/zinc/30/54/60/454305460.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 2 2 336.483 3.273 40 0 EGABLP COC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000193967069 455788262 /nfs/dbraw/zinc/78/82/62/455788262.db2.gz YBYLWJVTANIRBG-KRWDZBQOSA-N 2 2 342.830 3.398 40 0 EGABLP Cc1cc(N)cc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)[nH+]1 ZINC000257310184 455889272 /nfs/dbraw/zinc/88/92/72/455889272.db2.gz UEAXGLQZEMUGAL-FQEVSTJZSA-N 2 2 334.423 3.094 40 0 EGABLP Cc1cc(N)cc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)[nH+]1 ZINC000257310184 455889274 /nfs/dbraw/zinc/88/92/74/455889274.db2.gz UEAXGLQZEMUGAL-FQEVSTJZSA-N 2 2 334.423 3.094 40 0 EGABLP Cc1cc(N)cc([C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)[nH+]1 ZINC000257325182 455891805 /nfs/dbraw/zinc/89/18/05/455891805.db2.gz WRVXNZZMHUQSLG-FQEVSTJZSA-N 2 2 334.423 3.094 40 0 EGABLP Cc1cc(N)cc([C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)[nH+]1 ZINC000257325182 455891811 /nfs/dbraw/zinc/89/18/11/455891811.db2.gz WRVXNZZMHUQSLG-FQEVSTJZSA-N 2 2 334.423 3.094 40 0 EGABLP c1csc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)n1 ZINC000306137919 456567723 /nfs/dbraw/zinc/56/77/23/456567723.db2.gz RKCBXZLMELHCHT-HZPDHXFCSA-N 2 2 336.464 3.311 40 0 EGABLP c1csc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)n1 ZINC000306137919 456567729 /nfs/dbraw/zinc/56/77/29/456567729.db2.gz RKCBXZLMELHCHT-HZPDHXFCSA-N 2 2 336.464 3.311 40 0 EGABLP Fc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355443 216163498 /nfs/dbraw/zinc/16/34/98/216163498.db2.gz DYLDDWCYTGEHCU-INIZCTEOSA-N 2 2 337.402 3.181 40 0 EGABLP Fc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355443 216163501 /nfs/dbraw/zinc/16/35/01/216163501.db2.gz DYLDDWCYTGEHCU-INIZCTEOSA-N 2 2 337.402 3.181 40 0 EGABLP COc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378687 216180811 /nfs/dbraw/zinc/18/08/11/216180811.db2.gz VCPOLHCHMUVOAO-GOSISDBHSA-N 2 2 335.411 3.008 40 0 EGABLP COc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378687 216180813 /nfs/dbraw/zinc/18/08/13/216180813.db2.gz VCPOLHCHMUVOAO-GOSISDBHSA-N 2 2 335.411 3.008 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072379230 216181104 /nfs/dbraw/zinc/18/11/04/216181104.db2.gz PTLKIGJTKOBXBL-QGZVFWFLSA-N 2 2 326.444 3.146 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072379230 216181105 /nfs/dbraw/zinc/18/11/05/216181105.db2.gz PTLKIGJTKOBXBL-QGZVFWFLSA-N 2 2 326.444 3.146 40 0 EGABLP c1csc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)CCCC2)n1 ZINC000083225752 453944093 /nfs/dbraw/zinc/94/40/93/453944093.db2.gz BOJIBIWHOPNOFF-UHFFFAOYSA-N 2 2 325.441 3.283 40 0 EGABLP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)n1 ZINC000096046615 454269735 /nfs/dbraw/zinc/26/97/35/454269735.db2.gz DUQHWLROKCAZKA-UHFFFAOYSA-N 2 2 334.514 3.088 40 0 EGABLP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)n1 ZINC000096046615 454269740 /nfs/dbraw/zinc/26/97/40/454269740.db2.gz DUQHWLROKCAZKA-UHFFFAOYSA-N 2 2 334.514 3.088 40 0 EGABLP Cc1csc(CCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000096476954 454363044 /nfs/dbraw/zinc/36/30/44/454363044.db2.gz DVXYCQSQRONZOH-UHFFFAOYSA-N 2 2 330.501 3.033 40 0 EGABLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000253396840 455839598 /nfs/dbraw/zinc/83/95/98/455839598.db2.gz RKYLEWBNGAJUQG-GDBMZVCRSA-N 2 2 333.457 3.058 40 0 EGABLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000253396840 455839602 /nfs/dbraw/zinc/83/96/02/455839602.db2.gz RKYLEWBNGAJUQG-GDBMZVCRSA-N 2 2 333.457 3.058 40 0 EGABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)[nH+]1 ZINC000257338628 455896307 /nfs/dbraw/zinc/89/63/07/455896307.db2.gz YYGIHTFJUOCLIZ-AWEZNQCLSA-N 2 2 329.473 3.126 40 0 EGABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)[nH+]1 ZINC000257338628 455896311 /nfs/dbraw/zinc/89/63/11/455896311.db2.gz YYGIHTFJUOCLIZ-AWEZNQCLSA-N 2 2 329.473 3.126 40 0 EGABLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000195556442 455985022 /nfs/dbraw/zinc/98/50/22/455985022.db2.gz PHYIJFVUNLUUES-HZPDHXFCSA-N 2 2 344.425 3.373 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306138267 456567154 /nfs/dbraw/zinc/56/71/54/456567154.db2.gz RTVCZACNJSGRPG-MOPGFXCFSA-N 2 2 330.435 3.249 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@@H]1C[N@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306138267 456567160 /nfs/dbraw/zinc/56/71/60/456567160.db2.gz RTVCZACNJSGRPG-MOPGFXCFSA-N 2 2 330.435 3.249 40 0 EGABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccn1C ZINC000036740333 213114460 /nfs/dbraw/zinc/11/44/60/213114460.db2.gz BPIBFSLOCMJVGV-UHFFFAOYSA-N 2 2 338.455 3.323 40 0 EGABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccn1C ZINC000036740333 213114461 /nfs/dbraw/zinc/11/44/61/213114461.db2.gz BPIBFSLOCMJVGV-UHFFFAOYSA-N 2 2 338.455 3.323 40 0 EGABLP COc1ccc(C[NH+]2CCC(c3nccnc3-n3cc[nH+]c3)CC2)cc1 ZINC000072350510 216162306 /nfs/dbraw/zinc/16/23/06/216162306.db2.gz QSTJPKSJWSWODG-UHFFFAOYSA-N 2 2 349.438 3.051 40 0 EGABLP CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072355634 216163970 /nfs/dbraw/zinc/16/39/70/216163970.db2.gz VCBBTXIYMKUZHF-SFHVURJKSA-N 2 2 348.454 3.350 40 0 EGABLP CNc1ncccc1C[N@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072355634 216163974 /nfs/dbraw/zinc/16/39/74/216163974.db2.gz VCBBTXIYMKUZHF-SFHVURJKSA-N 2 2 348.454 3.350 40 0 EGABLP CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000022913596 212332858 /nfs/dbraw/zinc/33/28/58/212332858.db2.gz LMWNYAWYCYVLJM-MRXNPFEDSA-N 2 2 332.517 3.277 40 0 EGABLP CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000022913596 212332861 /nfs/dbraw/zinc/33/28/61/212332861.db2.gz LMWNYAWYCYVLJM-MRXNPFEDSA-N 2 2 332.517 3.277 40 0 EGABLP Cn1c[nH+]cc1-c1cccc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000257219541 244176757 /nfs/dbraw/zinc/17/67/57/244176757.db2.gz DHEAJODJHLBNAD-UHFFFAOYSA-N 2 2 333.439 3.257 40 0 EGABLP CCn1c[nH+]cc1CN1CC[NH+](CC2(c3ccc(C)cc3)CC2)CC1 ZINC000019578651 212046927 /nfs/dbraw/zinc/04/69/27/212046927.db2.gz IECNQHSTZUNJQT-UHFFFAOYSA-N 2 2 338.499 3.061 40 0 EGABLP Cc1[nH+]cc(C[NH2+]Cc2cccc(-n3cncn3)c2)n1-c1ccccc1 ZINC000084044269 453966480 /nfs/dbraw/zinc/96/64/80/453966480.db2.gz VDIASJQSSVWUJO-UHFFFAOYSA-N 2 2 344.422 3.051 40 0 EGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cncn2C)s1 ZINC000043277894 454052925 /nfs/dbraw/zinc/05/29/25/454052925.db2.gz OZWRPODPRSMGQH-UHFFFAOYSA-N 2 2 329.473 3.079 40 0 EGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cncn2C)s1 ZINC000043277894 454052927 /nfs/dbraw/zinc/05/29/27/454052927.db2.gz OZWRPODPRSMGQH-UHFFFAOYSA-N 2 2 329.473 3.079 40 0 EGABLP FC1(F)CC[N@H+](Cc2cccnc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051158 454272547 /nfs/dbraw/zinc/27/25/47/454272547.db2.gz FLJQMBPRQVQEOG-GOSISDBHSA-N 2 2 344.409 3.214 40 0 EGABLP FC1(F)CC[N@@H+](Cc2cccnc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051158 454272550 /nfs/dbraw/zinc/27/25/50/454272550.db2.gz FLJQMBPRQVQEOG-GOSISDBHSA-N 2 2 344.409 3.214 40 0 EGABLP c1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)co1 ZINC000096208143 454304364 /nfs/dbraw/zinc/30/43/64/454304364.db2.gz CPRJWJKJCJQGBC-MJGOQNOKSA-N 2 2 327.428 3.158 40 0 EGABLP c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)co1 ZINC000096208143 454304366 /nfs/dbraw/zinc/30/43/66/454304366.db2.gz CPRJWJKJCJQGBC-MJGOQNOKSA-N 2 2 327.428 3.158 40 0 EGABLP c1ccc(CC[N@@H+]2CC[C@]3(C2)C[C@@H](Nc2cccc[nH+]2)CCO3)cc1 ZINC000096206572 454304392 /nfs/dbraw/zinc/30/43/92/454304392.db2.gz QBAZLPMSPIWKNQ-PZJWPPBQSA-N 2 2 337.467 3.360 40 0 EGABLP c1ccc(CC[N@H+]2CC[C@]3(C2)C[C@@H](Nc2cccc[nH+]2)CCO3)cc1 ZINC000096206572 454304395 /nfs/dbraw/zinc/30/43/95/454304395.db2.gz QBAZLPMSPIWKNQ-PZJWPPBQSA-N 2 2 337.467 3.360 40 0 EGABLP c1cc2n(n1)C[C@@H](CNc1cccc[nH+]1)C[N@@H+](Cc1ccccc1)C2 ZINC000248133476 455686052 /nfs/dbraw/zinc/68/60/52/455686052.db2.gz YGJIZHVVHQRZGF-SFHVURJKSA-N 2 2 333.439 3.022 40 0 EGABLP c1cc2n(n1)C[C@@H](CNc1cccc[nH+]1)C[N@H+](Cc1ccccc1)C2 ZINC000248133476 455686053 /nfs/dbraw/zinc/68/60/53/455686053.db2.gz YGJIZHVVHQRZGF-SFHVURJKSA-N 2 2 333.439 3.022 40 0 EGABLP CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257301983 455886571 /nfs/dbraw/zinc/88/65/71/455886571.db2.gz SAWYUFBTEUGMNQ-GOSISDBHSA-N 2 2 340.471 3.274 40 0 EGABLP CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257301983 455886575 /nfs/dbraw/zinc/88/65/75/455886575.db2.gz SAWYUFBTEUGMNQ-GOSISDBHSA-N 2 2 340.471 3.274 40 0 EGABLP Cc1c[nH+]ccc1OC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000333347453 456204468 /nfs/dbraw/zinc/20/44/68/456204468.db2.gz VAPWUIHNAQIBRI-UHFFFAOYSA-N 2 2 338.455 3.415 40 0 EGABLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000195556421 241003544 /nfs/dbraw/zinc/00/35/44/241003544.db2.gz PXTGGRLJMGLORH-MRXNPFEDSA-N 2 2 341.421 3.272 40 0 EGABLP CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCC[NH+](C)C)o2)cc1 ZINC000008253094 453182836 /nfs/dbraw/zinc/18/28/36/453182836.db2.gz FIPQPSPSBUKLKP-UHFFFAOYSA-N 2 2 330.428 3.165 40 0 EGABLP FC1(F)CC[N@H+](Cc2ccccn2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096239609 454310230 /nfs/dbraw/zinc/31/02/30/454310230.db2.gz KAHDZXUOMSPHTH-SFHVURJKSA-N 2 2 344.409 3.214 40 0 EGABLP FC1(F)CC[N@@H+](Cc2ccccn2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096239609 454310235 /nfs/dbraw/zinc/31/02/35/454310235.db2.gz KAHDZXUOMSPHTH-SFHVURJKSA-N 2 2 344.409 3.214 40 0 EGABLP Cn1c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)nc2ccccc21 ZINC000096403665 454322842 /nfs/dbraw/zinc/32/28/42/454322842.db2.gz DGWRJTCHHFNNMQ-UHFFFAOYSA-N 2 2 331.423 3.108 40 0 EGABLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000195553916 455983678 /nfs/dbraw/zinc/98/36/78/455983678.db2.gz PAXSWWDWSTWKIY-SUNKGSAMSA-N 2 2 344.425 3.338 40 0 EGABLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000195553916 455983683 /nfs/dbraw/zinc/98/36/83/455983683.db2.gz PAXSWWDWSTWKIY-SUNKGSAMSA-N 2 2 344.425 3.338 40 0 EGABLP c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[N@@H+](Cc1cccnc1)C2 ZINC000585095445 459822264 /nfs/dbraw/zinc/82/22/64/459822264.db2.gz QSPXZGYHBNHBRL-LJQANCHMSA-N 2 2 347.466 3.412 40 0 EGABLP c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[N@H+](Cc1cccnc1)C2 ZINC000585095445 459822267 /nfs/dbraw/zinc/82/22/67/459822267.db2.gz QSPXZGYHBNHBRL-LJQANCHMSA-N 2 2 347.466 3.412 40 0 EGABLP CN(C)c1ncccc1C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019719786 212057296 /nfs/dbraw/zinc/05/72/96/212057296.db2.gz JWWTVFSZZVAWLY-INIZCTEOSA-N 2 2 349.482 3.479 40 0 EGABLP CN(C)c1ncccc1C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019719786 212057297 /nfs/dbraw/zinc/05/72/97/212057297.db2.gz JWWTVFSZZVAWLY-INIZCTEOSA-N 2 2 349.482 3.479 40 0 EGABLP C[N@H+](Cc1cccnc1)Cc1cncc2c1CC[NH+](Cc1ccoc1)C2 ZINC000096189524 454300908 /nfs/dbraw/zinc/30/09/08/454300908.db2.gz NMQYUFQRMNMEQU-UHFFFAOYSA-N 2 2 348.450 3.260 40 0 EGABLP C[N@@H+](Cc1cccnc1)Cc1cncc2c1CC[NH+](Cc1ccoc1)C2 ZINC000096189524 454300912 /nfs/dbraw/zinc/30/09/12/454300912.db2.gz NMQYUFQRMNMEQU-UHFFFAOYSA-N 2 2 348.450 3.260 40 0 EGABLP C[NH+](Cc1cccnc1)Cc1cncc2c1CC[N@H+](Cc1ccoc1)C2 ZINC000096189524 454300916 /nfs/dbraw/zinc/30/09/16/454300916.db2.gz NMQYUFQRMNMEQU-UHFFFAOYSA-N 2 2 348.450 3.260 40 0 EGABLP C[NH+](Cc1cccnc1)Cc1cncc2c1CC[N@@H+](Cc1ccoc1)C2 ZINC000096189524 454300921 /nfs/dbraw/zinc/30/09/21/454300921.db2.gz NMQYUFQRMNMEQU-UHFFFAOYSA-N 2 2 348.450 3.260 40 0 EGABLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305122 /nfs/dbraw/zinc/30/51/22/454305122.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305128 /nfs/dbraw/zinc/30/51/28/454305128.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305132 /nfs/dbraw/zinc/30/51/32/454305132.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305135 /nfs/dbraw/zinc/30/51/35/454305135.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 2 2 325.456 3.471 40 0 EGABLP Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000179987529 455111004 /nfs/dbraw/zinc/11/10/04/455111004.db2.gz LUESZUASKSVRPC-KRWDZBQOSA-N 2 2 347.466 3.416 40 0 EGABLP Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000179987529 455111008 /nfs/dbraw/zinc/11/10/08/455111008.db2.gz LUESZUASKSVRPC-KRWDZBQOSA-N 2 2 347.466 3.416 40 0 EGABLP Cn1c[nH+]cc1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000257307281 455887348 /nfs/dbraw/zinc/88/73/48/455887348.db2.gz SYAMZQOCQBAMOI-INIZCTEOSA-N 2 2 333.439 3.257 40 0 EGABLP Cn1c[nH+]cc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000257307281 455887356 /nfs/dbraw/zinc/88/73/56/455887356.db2.gz SYAMZQOCQBAMOI-INIZCTEOSA-N 2 2 333.439 3.257 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cnc(C)nc2)n1 ZINC000072366767 216171480 /nfs/dbraw/zinc/17/14/80/216171480.db2.gz JPZGYFNAPIVDOE-GOSISDBHSA-N 2 2 348.454 3.265 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cnc(C)nc2)n1 ZINC000072366767 216171484 /nfs/dbraw/zinc/17/14/84/216171484.db2.gz JPZGYFNAPIVDOE-GOSISDBHSA-N 2 2 348.454 3.265 40 0 EGABLP C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](Cc1ccc(F)cc1)C2 ZINC000019589008 212048963 /nfs/dbraw/zinc/04/89/63/212048963.db2.gz VXSDTEPEPHFGFW-LJQANCHMSA-N 2 2 340.446 3.331 40 0 EGABLP C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](Cc1ccc(F)cc1)C2 ZINC000019589008 212048966 /nfs/dbraw/zinc/04/89/66/212048966.db2.gz VXSDTEPEPHFGFW-LJQANCHMSA-N 2 2 340.446 3.331 40 0 EGABLP C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019589008 212048967 /nfs/dbraw/zinc/04/89/67/212048967.db2.gz VXSDTEPEPHFGFW-LJQANCHMSA-N 2 2 340.446 3.331 40 0 EGABLP C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000019589008 212048969 /nfs/dbraw/zinc/04/89/69/212048969.db2.gz VXSDTEPEPHFGFW-LJQANCHMSA-N 2 2 340.446 3.331 40 0 EGABLP Cn1c2ccccc2nc1[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000125983065 323218031 /nfs/dbraw/zinc/21/80/31/323218031.db2.gz GLRPKXFQWIEWPP-LJQANCHMSA-N 2 2 331.423 3.149 40 0 EGABLP Cn1nccc1C[N@@H+]1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019713006 453658714 /nfs/dbraw/zinc/65/87/14/453658714.db2.gz GRLXVPHHCRZZRU-QHAWAJNXSA-N 2 2 338.499 3.138 40 0 EGABLP Cn1nccc1C[N@H+]1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019713006 453658718 /nfs/dbraw/zinc/65/87/18/453658718.db2.gz GRLXVPHHCRZZRU-QHAWAJNXSA-N 2 2 338.499 3.138 40 0 EGABLP COCC[N@H+](CC1(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000036743657 453931115 /nfs/dbraw/zinc/93/11/15/453931115.db2.gz FTXXQQXUFWOBOS-UHFFFAOYSA-N 2 2 336.907 3.414 40 0 EGABLP COCC[N@@H+](CC1(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000036743657 453931117 /nfs/dbraw/zinc/93/11/17/453931117.db2.gz FTXXQQXUFWOBOS-UHFFFAOYSA-N 2 2 336.907 3.414 40 0 EGABLP CNc1cc([C@H]2CCCN2C(=O)CCn2cc[nH+]c2C(C)C)cc[nH+]1 ZINC000257329687 455893645 /nfs/dbraw/zinc/89/36/45/455893645.db2.gz XLAXVIUPODAXLV-MRXNPFEDSA-N 2 2 341.459 3.197 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2cccnc2)Cc2ccccc21 ZINC000306128488 547459818 /nfs/dbraw/zinc/45/98/18/547459818.db2.gz HBNDUEMRHWWPOW-FQEVSTJZSA-N 2 2 348.450 3.072 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2cccnc2)Cc2ccccc21 ZINC000306128488 547459820 /nfs/dbraw/zinc/45/98/20/547459820.db2.gz HBNDUEMRHWWPOW-FQEVSTJZSA-N 2 2 348.450 3.072 40 0 EGABLP Cc1cccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000072355457 216164244 /nfs/dbraw/zinc/16/42/44/216164244.db2.gz UWECRXQFGCUGNT-SFHVURJKSA-N 2 2 333.439 3.350 40 0 EGABLP Cc1cccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000072355457 216164248 /nfs/dbraw/zinc/16/42/48/216164248.db2.gz UWECRXQFGCUGNT-SFHVURJKSA-N 2 2 333.439 3.350 40 0 EGABLP CC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000097379305 219020558 /nfs/dbraw/zinc/02/05/58/219020558.db2.gz ZBFNELZHAZQOQU-XVAXZDLZSA-N 2 2 343.515 3.078 40 0 EGABLP CC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000097379305 219020559 /nfs/dbraw/zinc/02/05/59/219020559.db2.gz ZBFNELZHAZQOQU-XVAXZDLZSA-N 2 2 343.515 3.078 40 0 EGABLP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccc(F)cc1 ZINC000008373898 453197466 /nfs/dbraw/zinc/19/74/66/453197466.db2.gz REPVZGFLNSGCJX-UHFFFAOYSA-N 2 2 346.446 3.455 40 0 EGABLP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000019237573 453655624 /nfs/dbraw/zinc/65/56/24/453655624.db2.gz PRBXNFMDAVTLIY-SFHVURJKSA-N 2 2 326.488 3.181 40 0 EGABLP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000019237573 453655628 /nfs/dbraw/zinc/65/56/28/453655628.db2.gz PRBXNFMDAVTLIY-SFHVURJKSA-N 2 2 326.488 3.181 40 0 EGABLP Cc1nn(-c2ccccc2C)c(C)c1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000019237573 453655631 /nfs/dbraw/zinc/65/56/31/453655631.db2.gz PRBXNFMDAVTLIY-SFHVURJKSA-N 2 2 326.488 3.181 40 0 EGABLP Cc1nn(-c2ccccc2C)c(C)c1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000019237573 453655635 /nfs/dbraw/zinc/65/56/35/453655635.db2.gz PRBXNFMDAVTLIY-SFHVURJKSA-N 2 2 326.488 3.181 40 0 EGABLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000247257977 455580299 /nfs/dbraw/zinc/58/02/99/455580299.db2.gz YYENXIUWGHCNDJ-FOIQADDNSA-N 2 2 345.437 3.403 40 0 EGABLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000247257977 455580302 /nfs/dbraw/zinc/58/03/02/455580302.db2.gz YYENXIUWGHCNDJ-FOIQADDNSA-N 2 2 345.437 3.403 40 0 EGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2nccn2C)s1 ZINC000036740408 213114702 /nfs/dbraw/zinc/11/47/02/213114702.db2.gz WMUGYSBCFWCAAM-UHFFFAOYSA-N 2 2 329.473 3.079 40 0 EGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2nccn2C)s1 ZINC000036740408 213114706 /nfs/dbraw/zinc/11/47/06/213114706.db2.gz WMUGYSBCFWCAAM-UHFFFAOYSA-N 2 2 329.473 3.079 40 0 EGABLP CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000022913602 212332302 /nfs/dbraw/zinc/33/23/02/212332302.db2.gz LMWNYAWYCYVLJM-INIZCTEOSA-N 2 2 332.517 3.277 40 0 EGABLP CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000022913602 212332305 /nfs/dbraw/zinc/33/23/05/212332305.db2.gz LMWNYAWYCYVLJM-INIZCTEOSA-N 2 2 332.517 3.277 40 0 EGABLP Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215979 454305405 /nfs/dbraw/zinc/30/54/05/454305405.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 2 2 329.444 3.373 40 0 EGABLP Cc1noc(C)c1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215979 454305407 /nfs/dbraw/zinc/30/54/07/454305407.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 2 2 329.444 3.373 40 0 EGABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096215979 454305408 /nfs/dbraw/zinc/30/54/08/454305408.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 2 2 329.444 3.373 40 0 EGABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096215979 454305410 /nfs/dbraw/zinc/30/54/10/454305410.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 2 2 329.444 3.373 40 0 EGABLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306028 /nfs/dbraw/zinc/30/60/28/454306028.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306032 /nfs/dbraw/zinc/30/60/32/454306032.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306038 /nfs/dbraw/zinc/30/60/38/454306038.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306040 /nfs/dbraw/zinc/30/60/40/454306040.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccn2cc(CC[NH2+][C@H](c3ncc[nH]3)c3ccccc3)[nH+]c12 ZINC000097103769 454407581 /nfs/dbraw/zinc/40/75/81/454407581.db2.gz NPUMAPMDRXYZOW-SFHVURJKSA-N 2 2 331.423 3.288 40 0 EGABLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194298 454727655 /nfs/dbraw/zinc/72/76/55/454727655.db2.gz FVAPJLLPGVGGRR-SUMWQHHRSA-N 2 2 336.842 3.293 40 0 EGABLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194298 454727660 /nfs/dbraw/zinc/72/76/60/454727660.db2.gz FVAPJLLPGVGGRR-SUMWQHHRSA-N 2 2 336.842 3.293 40 0 EGABLP Cc1cccc(COC[C@H]2C[N@H+](CC3CCCC3)Cc3c[nH+]cn32)n1 ZINC000247901820 455653782 /nfs/dbraw/zinc/65/37/82/455653782.db2.gz ZKIUXKWVYCGYQU-HXUWFJFHSA-N 2 2 340.471 3.350 40 0 EGABLP Cc1cccc(COC[C@H]2C[N@@H+](CC3CCCC3)Cc3c[nH+]cn32)n1 ZINC000247901820 455653786 /nfs/dbraw/zinc/65/37/86/455653786.db2.gz ZKIUXKWVYCGYQU-HXUWFJFHSA-N 2 2 340.471 3.350 40 0 EGABLP Cc1cccc(COC[C@@H]2C[N@H+](CC3CCCC3)Cc3c[nH+]cn32)n1 ZINC000247901815 455653996 /nfs/dbraw/zinc/65/39/96/455653996.db2.gz ZKIUXKWVYCGYQU-FQEVSTJZSA-N 2 2 340.471 3.350 40 0 EGABLP Cc1cccc(COC[C@@H]2C[N@@H+](CC3CCCC3)Cc3c[nH+]cn32)n1 ZINC000247901815 455654003 /nfs/dbraw/zinc/65/40/03/455654003.db2.gz ZKIUXKWVYCGYQU-FQEVSTJZSA-N 2 2 340.471 3.350 40 0 EGABLP Cc1nc(COC[C@H]2C[N@@H+](C3CCCC3)Cc3c[nH+]cn32)cs1 ZINC000248019205 455670393 /nfs/dbraw/zinc/67/03/93/455670393.db2.gz IMLUVXACNQAGEH-QGZVFWFLSA-N 2 2 332.473 3.164 40 0 EGABLP Cc1nc(COC[C@H]2C[N@H+](C3CCCC3)Cc3c[nH+]cn32)cs1 ZINC000248019205 455670398 /nfs/dbraw/zinc/67/03/98/455670398.db2.gz IMLUVXACNQAGEH-QGZVFWFLSA-N 2 2 332.473 3.164 40 0 EGABLP OCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000248763063 455729252 /nfs/dbraw/zinc/72/92/52/455729252.db2.gz DWCYDJFNLYTUQD-YRPNKDGESA-N 2 2 340.467 3.488 40 0 EGABLP OCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000248763063 455729258 /nfs/dbraw/zinc/72/92/58/455729258.db2.gz DWCYDJFNLYTUQD-YRPNKDGESA-N 2 2 340.467 3.488 40 0 EGABLP Cc1nc([C@]2(C)CCC[N@@H+](C3CC[NH+](C)CC3)C2)c2sccn12 ZINC000257243758 244251001 /nfs/dbraw/zinc/25/10/01/244251001.db2.gz IILHUFJRAIOJNO-GOSISDBHSA-N 2 2 332.517 3.152 40 0 EGABLP Cc1nc([C@]2(C)CCC[N@H+](C3CC[NH+](C)CC3)C2)c2sccn12 ZINC000257243758 244251007 /nfs/dbraw/zinc/25/10/07/244251007.db2.gz IILHUFJRAIOJNO-GOSISDBHSA-N 2 2 332.517 3.152 40 0 EGABLP C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](Cc1ccc(F)cc1)C2 ZINC000019589010 212049514 /nfs/dbraw/zinc/04/95/14/212049514.db2.gz VXSDTEPEPHFGFW-IBGZPJMESA-N 2 2 340.446 3.331 40 0 EGABLP C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](Cc1ccc(F)cc1)C2 ZINC000019589010 212049518 /nfs/dbraw/zinc/04/95/18/212049518.db2.gz VXSDTEPEPHFGFW-IBGZPJMESA-N 2 2 340.446 3.331 40 0 EGABLP C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019589010 212049520 /nfs/dbraw/zinc/04/95/20/212049520.db2.gz VXSDTEPEPHFGFW-IBGZPJMESA-N 2 2 340.446 3.331 40 0 EGABLP C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000019589010 212049522 /nfs/dbraw/zinc/04/95/22/212049522.db2.gz VXSDTEPEPHFGFW-IBGZPJMESA-N 2 2 340.446 3.331 40 0 EGABLP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189887713 455250701 /nfs/dbraw/zinc/25/07/01/455250701.db2.gz XLLVUXSRFSSZFK-KUHUBIRLSA-N 2 2 325.387 3.396 40 0 EGABLP CCOc1cc2c(cc1OCC)[C@H](c1[nH]c(CC)[nH+]c1C)[NH2+]CC2 ZINC000005686678 452895332 /nfs/dbraw/zinc/89/53/32/452895332.db2.gz CKLJQZXCQMLTJE-LJQANCHMSA-N 2 2 329.444 3.313 40 0 EGABLP C[NH+](C)CCC[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccn1 ZINC000057797226 454146827 /nfs/dbraw/zinc/14/68/27/454146827.db2.gz FTFLCYKCBFNNOL-UHFFFAOYSA-N 2 2 349.482 3.221 40 0 EGABLP C[NH+](C)CCC[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccn1 ZINC000057797226 454146832 /nfs/dbraw/zinc/14/68/32/454146832.db2.gz FTFLCYKCBFNNOL-UHFFFAOYSA-N 2 2 349.482 3.221 40 0 EGABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096037054 454265380 /nfs/dbraw/zinc/26/53/80/454265380.db2.gz CRVSOGKRYRDTKC-UHFFFAOYSA-N 2 2 330.501 3.080 40 0 EGABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)s1 ZINC000096046985 454270502 /nfs/dbraw/zinc/27/05/02/454270502.db2.gz XSOSRKVNXVUZJU-IBGZPJMESA-N 2 2 344.528 3.278 40 0 EGABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)s1 ZINC000096046985 454270504 /nfs/dbraw/zinc/27/05/04/454270504.db2.gz XSOSRKVNXVUZJU-IBGZPJMESA-N 2 2 344.528 3.278 40 0 EGABLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)s1 ZINC000096046985 454270505 /nfs/dbraw/zinc/27/05/05/454270505.db2.gz XSOSRKVNXVUZJU-IBGZPJMESA-N 2 2 344.528 3.278 40 0 EGABLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)s1 ZINC000096046985 454270507 /nfs/dbraw/zinc/27/05/07/454270507.db2.gz XSOSRKVNXVUZJU-IBGZPJMESA-N 2 2 344.528 3.278 40 0 EGABLP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053874 454274071 /nfs/dbraw/zinc/27/40/71/454274071.db2.gz LIKPMNUTMQLPQJ-OALUTQOASA-N 2 2 340.442 3.398 40 0 EGABLP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660645 455350181 /nfs/dbraw/zinc/35/01/81/455350181.db2.gz FVAPJLLPGVGGRR-DYVFJYSZSA-N 2 2 336.842 3.293 40 0 EGABLP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660645 455350184 /nfs/dbraw/zinc/35/01/84/455350184.db2.gz FVAPJLLPGVGGRR-DYVFJYSZSA-N 2 2 336.842 3.293 40 0 EGABLP CC[NH+]1CCN(c2cccc(NCc3c[nH+]c4ccccn34)c2)CC1 ZINC000191884455 455527785 /nfs/dbraw/zinc/52/77/85/455527785.db2.gz BXPYXOVPSMNXFT-UHFFFAOYSA-N 2 2 335.455 3.088 40 0 EGABLP Nc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000248654572 455725315 /nfs/dbraw/zinc/72/53/15/455725315.db2.gz AHKXTCYGHZPTFY-VQTJNVASSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000248654572 455725319 /nfs/dbraw/zinc/72/53/19/455725319.db2.gz AHKXTCYGHZPTFY-VQTJNVASSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000248654572 455725320 /nfs/dbraw/zinc/72/53/20/455725320.db2.gz AHKXTCYGHZPTFY-VQTJNVASSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000248654572 455725325 /nfs/dbraw/zinc/72/53/25/455725325.db2.gz AHKXTCYGHZPTFY-VQTJNVASSA-N 2 2 336.483 3.150 40 0 EGABLP O=C(Nc1cccc(C2=[NH+]CCC2)c1)Nc1cccc(C2=[NH+]CCN2)c1 ZINC000584577510 459771202 /nfs/dbraw/zinc/77/12/02/459771202.db2.gz HEUVDNHLPKLILK-UHFFFAOYSA-N 2 2 347.422 3.263 40 0 EGABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)cc[nH+]1 ZINC000257217164 244170053 /nfs/dbraw/zinc/17/00/53/244170053.db2.gz CXUQOBDVIYANBI-LJQANCHMSA-N 2 2 348.450 3.046 40 0 EGABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)cc[nH+]1 ZINC000257217164 244170061 /nfs/dbraw/zinc/17/00/61/244170061.db2.gz CXUQOBDVIYANBI-LJQANCHMSA-N 2 2 348.450 3.046 40 0 EGABLP Clc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019349352 212019980 /nfs/dbraw/zinc/01/99/80/212019980.db2.gz IZNMSKLGSZAWQH-AWEZNQCLSA-N 2 2 342.874 3.155 40 0 EGABLP Clc1ccccc1C[N@H+]1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019349352 212019982 /nfs/dbraw/zinc/01/99/82/212019982.db2.gz IZNMSKLGSZAWQH-AWEZNQCLSA-N 2 2 342.874 3.155 40 0 EGABLP c1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)c1 ZINC000096048930 454271326 /nfs/dbraw/zinc/27/13/26/454271326.db2.gz BWKSDBVPZAMHLB-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP c1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)c1 ZINC000096048930 454271330 /nfs/dbraw/zinc/27/13/30/454271330.db2.gz BWKSDBVPZAMHLB-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3C)c2)[C@H](C)C1 ZINC000096476577 454363209 /nfs/dbraw/zinc/36/32/09/454363209.db2.gz YQLYZKMTILYNAT-OXQOHEQNSA-N 3 2 326.488 3.060 40 0 EGABLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3C)c2)[C@H](C)C1 ZINC000096476577 454363214 /nfs/dbraw/zinc/36/32/14/454363214.db2.gz YQLYZKMTILYNAT-OXQOHEQNSA-N 3 2 326.488 3.060 40 0 EGABLP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000248172598 455693821 /nfs/dbraw/zinc/69/38/21/455693821.db2.gz VBAZAVVKRLDWON-RDTXWAMCSA-N 2 2 344.528 3.198 40 0 EGABLP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000248172598 455693827 /nfs/dbraw/zinc/69/38/27/455693827.db2.gz VBAZAVVKRLDWON-RDTXWAMCSA-N 2 2 344.528 3.198 40 0 EGABLP COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000253418427 455842268 /nfs/dbraw/zinc/84/22/68/455842268.db2.gz VIYSKFIWSLJPPR-SFHVURJKSA-N 2 2 342.443 3.131 40 0 EGABLP Cn1c[nH+]cc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000257307282 455887599 /nfs/dbraw/zinc/88/75/99/455887599.db2.gz SYAMZQOCQBAMOI-MRXNPFEDSA-N 2 2 333.439 3.257 40 0 EGABLP Cn1c[nH+]cc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000257307282 455887602 /nfs/dbraw/zinc/88/76/02/455887602.db2.gz SYAMZQOCQBAMOI-MRXNPFEDSA-N 2 2 333.439 3.257 40 0 EGABLP c1csc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137917 456567865 /nfs/dbraw/zinc/56/78/65/456567865.db2.gz RKCBXZLMELHCHT-CVEARBPZSA-N 2 2 336.464 3.311 40 0 EGABLP c1csc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137917 456567869 /nfs/dbraw/zinc/56/78/69/456567869.db2.gz RKCBXZLMELHCHT-CVEARBPZSA-N 2 2 336.464 3.311 40 0 EGABLP CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cn1 ZINC000072366772 216172128 /nfs/dbraw/zinc/17/21/28/216172128.db2.gz QNTAMOGMCLZEFS-GOSISDBHSA-N 2 2 336.443 3.211 40 0 EGABLP CCCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cn1 ZINC000072366772 216172131 /nfs/dbraw/zinc/17/21/31/216172131.db2.gz QNTAMOGMCLZEFS-GOSISDBHSA-N 2 2 336.443 3.211 40 0 EGABLP COc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378688 216181728 /nfs/dbraw/zinc/18/17/28/216181728.db2.gz VCPOLHCHMUVOAO-SFHVURJKSA-N 2 2 335.411 3.008 40 0 EGABLP COc1ccc(C[N@H+]2CCC[C@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378688 216181731 /nfs/dbraw/zinc/18/17/31/216181731.db2.gz VCPOLHCHMUVOAO-SFHVURJKSA-N 2 2 335.411 3.008 40 0 EGABLP c1cnc2ccc(C[N@@H+]3CCc4nc([C@H]5CCC[NH2+]5)ncc4C3)cc2c1 ZINC000019347043 212019514 /nfs/dbraw/zinc/01/95/14/212019514.db2.gz FQFIDIIHGRRAPT-HXUWFJFHSA-N 2 2 345.450 3.008 40 0 EGABLP c1cnc2ccc(C[N@H+]3CCc4nc([C@H]5CCC[NH2+]5)ncc4C3)cc2c1 ZINC000019347043 212019519 /nfs/dbraw/zinc/01/95/19/212019519.db2.gz FQFIDIIHGRRAPT-HXUWFJFHSA-N 2 2 345.450 3.008 40 0 EGABLP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000019237572 212008406 /nfs/dbraw/zinc/00/84/06/212008406.db2.gz PRBXNFMDAVTLIY-GOSISDBHSA-N 2 2 326.488 3.181 40 0 EGABLP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000019237572 212008411 /nfs/dbraw/zinc/00/84/11/212008411.db2.gz PRBXNFMDAVTLIY-GOSISDBHSA-N 2 2 326.488 3.181 40 0 EGABLP Cc1nn(-c2ccccc2C)c(C)c1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000019237572 212008413 /nfs/dbraw/zinc/00/84/13/212008413.db2.gz PRBXNFMDAVTLIY-GOSISDBHSA-N 2 2 326.488 3.181 40 0 EGABLP Cc1nn(-c2ccccc2C)c(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000019237572 212008415 /nfs/dbraw/zinc/00/84/15/212008415.db2.gz PRBXNFMDAVTLIY-GOSISDBHSA-N 2 2 326.488 3.181 40 0 EGABLP Cc1cc2[nH+]c(CC(=O)N[C@@H](C)C[NH+]3CCCCCC3)[nH]c2c(C)c1 ZINC000019568366 292022745 /nfs/dbraw/zinc/02/27/45/292022745.db2.gz ORJHIEMZPQDNFA-INIZCTEOSA-N 2 2 342.487 3.103 40 0 EGABLP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900234 455251731 /nfs/dbraw/zinc/25/17/31/455251731.db2.gz VTOCZENKZMWWPM-LIRRHRJNSA-N 2 2 325.387 3.396 40 0 EGABLP Cn1cc(C[N@@H+]2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cn1 ZINC000019712896 453659048 /nfs/dbraw/zinc/65/90/48/453659048.db2.gz ASKAANUMVZIVON-QHAWAJNXSA-N 2 2 338.499 3.138 40 0 EGABLP Cn1cc(C[N@H+]2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cn1 ZINC000019712896 453659053 /nfs/dbraw/zinc/65/90/53/453659053.db2.gz ASKAANUMVZIVON-QHAWAJNXSA-N 2 2 338.499 3.138 40 0 EGABLP C[NH+]1CC[C@@]23c4ccccc4N[C@@H]1[C@@]21CC[N@@H+](C)[C@@H]3Nc2ccccc21 ZINC000059364467 454257924 /nfs/dbraw/zinc/25/79/24/454257924.db2.gz XSYCDVWYEVUDKQ-CMOCDZPBSA-N 2 2 346.478 3.037 40 0 in-man EGABLP C[NH+]1CC[C@@]23c4ccccc4N[C@@H]1[C@@]21CC[N@H+](C)[C@@H]3Nc2ccccc21 ZINC000059364467 454257932 /nfs/dbraw/zinc/25/79/32/454257932.db2.gz XSYCDVWYEVUDKQ-CMOCDZPBSA-N 2 2 346.478 3.037 40 0 in-man EGABLP c1cc(C[N@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)cs1 ZINC000096067937 454278133 /nfs/dbraw/zinc/27/81/33/454278133.db2.gz UCOREIBVHVKDES-UHFFFAOYSA-N 2 2 339.468 3.010 40 0 EGABLP c1cc(C[N@@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)cs1 ZINC000096067937 454278136 /nfs/dbraw/zinc/27/81/36/454278136.db2.gz UCOREIBVHVKDES-UHFFFAOYSA-N 2 2 339.468 3.010 40 0 EGABLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304939 /nfs/dbraw/zinc/30/49/39/454304939.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304946 /nfs/dbraw/zinc/30/49/46/454304946.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304951 /nfs/dbraw/zinc/30/49/51/454304951.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304958 /nfs/dbraw/zinc/30/49/58/454304958.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 2 2 336.483 3.273 40 0 EGABLP Cc1nc[nH]c1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1cccc[nH+]1 ZINC000096249017 454312005 /nfs/dbraw/zinc/31/20/05/454312005.db2.gz AOTDVSKOAHMPFS-GVDBMIGSSA-N 2 2 325.460 3.073 40 0 EGABLP Cc1nc[nH]c1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1cccc[nH+]1 ZINC000096249017 454312007 /nfs/dbraw/zinc/31/20/07/454312007.db2.gz AOTDVSKOAHMPFS-GVDBMIGSSA-N 2 2 325.460 3.073 40 0 EGABLP C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000156123671 455083463 /nfs/dbraw/zinc/08/34/63/455083463.db2.gz IEYBNWRDJCUEPD-HNNXBMFYSA-N 2 2 327.428 3.209 40 0 EGABLP CCC[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000195553441 455984072 /nfs/dbraw/zinc/98/40/72/455984072.db2.gz ADWGECQVGMNCFQ-IBGZPJMESA-N 2 2 330.451 3.113 40 0 EGABLP Nc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000225614712 456099002 /nfs/dbraw/zinc/09/90/02/456099002.db2.gz AHKXTCYGHZPTFY-WOJBJXKFSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000225614712 456099007 /nfs/dbraw/zinc/09/90/07/456099007.db2.gz AHKXTCYGHZPTFY-WOJBJXKFSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000225614712 456099011 /nfs/dbraw/zinc/09/90/11/456099011.db2.gz AHKXTCYGHZPTFY-WOJBJXKFSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000225614712 456099013 /nfs/dbraw/zinc/09/90/13/456099013.db2.gz AHKXTCYGHZPTFY-WOJBJXKFSA-N 2 2 336.483 3.150 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134843 456567506 /nfs/dbraw/zinc/56/75/06/456567506.db2.gz NZLKKQREBNZUGH-RBUKOAKNSA-N 2 2 330.435 3.249 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134843 456567513 /nfs/dbraw/zinc/56/75/13/456567513.db2.gz NZLKKQREBNZUGH-RBUKOAKNSA-N 2 2 330.435 3.249 40 0 EGABLP Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306143422 456569200 /nfs/dbraw/zinc/56/92/00/456569200.db2.gz YCAFLQQADCGACF-BZUAXINKSA-N 2 2 329.469 3.010 40 0 EGABLP Cc1ccsc1C[N@H+]1C[C@H]2OC[C@@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306143422 456569204 /nfs/dbraw/zinc/56/92/04/456569204.db2.gz YCAFLQQADCGACF-BZUAXINKSA-N 2 2 329.469 3.010 40 0 EGABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[N@@H+](Cc1ccncc1)C2 ZINC000585095461 459822216 /nfs/dbraw/zinc/82/22/16/459822216.db2.gz RSZFHLDJMKKJPL-IBGZPJMESA-N 2 2 347.466 3.412 40 0 EGABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[N@H+](Cc1ccncc1)C2 ZINC000585095461 459822217 /nfs/dbraw/zinc/82/22/17/459822217.db2.gz RSZFHLDJMKKJPL-IBGZPJMESA-N 2 2 347.466 3.412 40 0 EGABLP COc1cc2cc[nH+]c(N3CCn4c(C)c(C)[nH+]c4C3)c2cc1OC ZINC000663516649 461683073 /nfs/dbraw/zinc/68/30/73/461683073.db2.gz BMMIMVQMBYYCGJ-UHFFFAOYSA-N 2 2 338.411 3.086 40 0 EGABLP CCc1nnc(C[NH+]2CCC(n3c4ccccc4[nH+]c3CC)CC2)o1 ZINC000180967729 234046873 /nfs/dbraw/zinc/04/68/73/234046873.db2.gz UTHNPWKOCHITDO-UHFFFAOYSA-N 2 2 339.443 3.381 40 0 EGABLP Fc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350500 216162601 /nfs/dbraw/zinc/16/26/01/216162601.db2.gz XVUSYDGHMPNZFY-INIZCTEOSA-N 2 2 337.402 3.181 40 0 EGABLP Fc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350500 216162603 /nfs/dbraw/zinc/16/26/03/216162603.db2.gz XVUSYDGHMPNZFY-INIZCTEOSA-N 2 2 337.402 3.181 40 0 EGABLP Nc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000193402039 240150708 /nfs/dbraw/zinc/15/07/08/240150708.db2.gz AHKXTCYGHZPTFY-UXHICEINSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000193402039 240150713 /nfs/dbraw/zinc/15/07/13/240150713.db2.gz AHKXTCYGHZPTFY-UXHICEINSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000193402039 240150724 /nfs/dbraw/zinc/15/07/24/240150724.db2.gz AHKXTCYGHZPTFY-UXHICEINSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000193402039 240150731 /nfs/dbraw/zinc/15/07/31/240150731.db2.gz AHKXTCYGHZPTFY-UXHICEINSA-N 2 2 336.483 3.150 40 0 EGABLP Clc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019349350 212019219 /nfs/dbraw/zinc/01/92/19/212019219.db2.gz IZNMSKLGSZAWQH-CQSZACIVSA-N 2 2 342.874 3.155 40 0 EGABLP Clc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019349350 212019222 /nfs/dbraw/zinc/01/92/22/212019222.db2.gz IZNMSKLGSZAWQH-CQSZACIVSA-N 2 2 342.874 3.155 40 0 EGABLP CC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000097379304 219020388 /nfs/dbraw/zinc/02/03/88/219020388.db2.gz ZBFNELZHAZQOQU-CBNMVNINSA-N 2 2 343.515 3.078 40 0 EGABLP CC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000097379304 219020389 /nfs/dbraw/zinc/02/03/89/219020389.db2.gz ZBFNELZHAZQOQU-CBNMVNINSA-N 2 2 343.515 3.078 40 0 EGABLP Clc1ccc(C2(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)CC2)cc1 ZINC000019332776 279291794 /nfs/dbraw/zinc/29/17/94/279291794.db2.gz PFUVHAKIZNGKJY-QGZVFWFLSA-N 2 2 348.918 3.416 40 0 EGABLP Clc1ccc(C2(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)CC2)cc1 ZINC000019332776 279291795 /nfs/dbraw/zinc/29/17/95/279291795.db2.gz PFUVHAKIZNGKJY-QGZVFWFLSA-N 2 2 348.918 3.416 40 0 EGABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccncc3)CC1)[N@@H+](C)CC2 ZINC000096100218 454282460 /nfs/dbraw/zinc/28/24/60/454282460.db2.gz ALWVFFPUZCWKRD-UHFFFAOYSA-N 2 2 337.467 3.069 40 0 EGABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccncc3)CC1)[N@H+](C)CC2 ZINC000096100218 454282466 /nfs/dbraw/zinc/28/24/66/454282466.db2.gz ALWVFFPUZCWKRD-UHFFFAOYSA-N 2 2 337.467 3.069 40 0 EGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)[N@@H+]1CC1CC1 ZINC000096206702 454304044 /nfs/dbraw/zinc/30/40/44/454304044.db2.gz JPQYRLOHKNPTIF-HXUWFJFHSA-N 2 2 343.515 3.327 40 0 EGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)[N@H+]1CC1CC1 ZINC000096206702 454304049 /nfs/dbraw/zinc/30/40/49/454304049.db2.gz JPQYRLOHKNPTIF-HXUWFJFHSA-N 2 2 343.515 3.327 40 0 EGABLP Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]cccc3C)C2)C1 ZINC000096216062 454305307 /nfs/dbraw/zinc/30/53/07/454305307.db2.gz LMDXCONDNIHKSP-HXUWFJFHSA-N 2 2 340.471 3.487 40 0 EGABLP Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(c3[nH+]cccc3C)C2)C1 ZINC000096216062 454305314 /nfs/dbraw/zinc/30/53/14/454305314.db2.gz LMDXCONDNIHKSP-HXUWFJFHSA-N 2 2 340.471 3.487 40 0 EGABLP Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(c3[nH+]cccc3C)C2)C1 ZINC000096216060 454305591 /nfs/dbraw/zinc/30/55/91/454305591.db2.gz LMDXCONDNIHKSP-FQEVSTJZSA-N 2 2 340.471 3.487 40 0 EGABLP Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(c3[nH+]cccc3C)C2)C1 ZINC000096216060 454305595 /nfs/dbraw/zinc/30/55/95/454305595.db2.gz LMDXCONDNIHKSP-FQEVSTJZSA-N 2 2 340.471 3.487 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccccn2)Cc2ccccc21 ZINC000306144569 456569455 /nfs/dbraw/zinc/56/94/55/456569455.db2.gz ZIYOMRAFFJBAEC-HXUWFJFHSA-N 2 2 348.450 3.072 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccccn2)Cc2ccccc21 ZINC000306144569 456569458 /nfs/dbraw/zinc/56/94/58/456569458.db2.gz ZIYOMRAFFJBAEC-HXUWFJFHSA-N 2 2 348.450 3.072 40 0 EGABLP COc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355483 216165055 /nfs/dbraw/zinc/16/50/55/216165055.db2.gz LBYPOKLLRUJHCZ-KRWDZBQOSA-N 2 2 349.438 3.051 40 0 EGABLP COc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355483 216165057 /nfs/dbraw/zinc/16/50/57/216165057.db2.gz LBYPOKLLRUJHCZ-KRWDZBQOSA-N 2 2 349.438 3.051 40 0 EGABLP COc1ccc(OC(F)F)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644343 218239111 /nfs/dbraw/zinc/23/91/11/218239111.db2.gz BLHJUEGOKIKWBM-TZMCWYRMSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644343 218239114 /nfs/dbraw/zinc/23/91/14/218239114.db2.gz BLHJUEGOKIKWBM-TZMCWYRMSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644343 218239116 /nfs/dbraw/zinc/23/91/16/218239116.db2.gz BLHJUEGOKIKWBM-TZMCWYRMSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644343 218239118 /nfs/dbraw/zinc/23/91/18/218239118.db2.gz BLHJUEGOKIKWBM-TZMCWYRMSA-N 2 2 328.403 3.211 40 0 EGABLP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189887698 455250668 /nfs/dbraw/zinc/25/06/68/455250668.db2.gz XLLVUXSRFSSZFK-LIRRHRJNSA-N 2 2 325.387 3.396 40 0 EGABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)o1 ZINC000096062394 454278558 /nfs/dbraw/zinc/27/85/58/454278558.db2.gz FEMXWNQWDHYYPO-IBGZPJMESA-N 2 2 346.496 3.374 40 0 EGABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)o1 ZINC000096062394 454278562 /nfs/dbraw/zinc/27/85/62/454278562.db2.gz FEMXWNQWDHYYPO-IBGZPJMESA-N 2 2 346.496 3.374 40 0 EGABLP Cc1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)o1 ZINC000096062394 454278567 /nfs/dbraw/zinc/27/85/67/454278567.db2.gz FEMXWNQWDHYYPO-IBGZPJMESA-N 2 2 346.496 3.374 40 0 EGABLP Cc1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)o1 ZINC000096062394 454278573 /nfs/dbraw/zinc/27/85/73/454278573.db2.gz FEMXWNQWDHYYPO-IBGZPJMESA-N 2 2 346.496 3.374 40 0 EGABLP C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478787 454363745 /nfs/dbraw/zinc/36/37/45/454363745.db2.gz YYWNTCGKVWMCKR-DZGCQCFKSA-N 2 2 338.377 3.160 40 0 EGABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257295544 455885131 /nfs/dbraw/zinc/88/51/31/455885131.db2.gz QYTUMFOKOXCJPO-ZDUSSCGKSA-N 2 2 327.457 3.170 40 0 EGABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257295544 455885132 /nfs/dbraw/zinc/88/51/32/455885132.db2.gz QYTUMFOKOXCJPO-ZDUSSCGKSA-N 2 2 327.457 3.170 40 0 EGABLP Cc1cc2ncc([C@H](C)[NH2+]CCc3cn4cccc(C)c4[nH+]3)c(C)n2n1 ZINC000091732159 218054501 /nfs/dbraw/zinc/05/45/01/218054501.db2.gz BZGYYMSZAIMLFW-HNNXBMFYSA-N 2 2 348.454 3.196 40 0 EGABLP CC(C)[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1ccc2c(c1)CCO2 ZINC000091339391 279904472 /nfs/dbraw/zinc/90/44/72/279904472.db2.gz RQTFRRURRNNUJO-LJQANCHMSA-N 2 2 332.488 3.019 40 0 EGABLP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189887731 455250218 /nfs/dbraw/zinc/25/02/18/455250218.db2.gz XLLVUXSRFSSZFK-IFXJQAMLSA-N 2 2 325.387 3.396 40 0 EGABLP c1ccc(N2CC[NH+](C3CC[NH+]([C@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000004109119 452792474 /nfs/dbraw/zinc/79/24/74/452792474.db2.gz NTMVEFPSIQONBD-JQVVWYNYSA-N 2 2 339.527 3.462 40 0 EGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccccc3OC)CC2)[N@@H+]1C ZINC000096206780 454304239 /nfs/dbraw/zinc/30/42/39/454304239.db2.gz WYSSDXQQGHGDPF-GOSISDBHSA-N 2 2 332.488 3.161 40 0 EGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccccc3OC)CC2)[N@H+]1C ZINC000096206780 454304243 /nfs/dbraw/zinc/30/42/43/454304243.db2.gz WYSSDXQQGHGDPF-GOSISDBHSA-N 2 2 332.488 3.161 40 0 EGABLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3C)c2)[C@H](C)C1 ZINC000096476575 454363180 /nfs/dbraw/zinc/36/31/80/454363180.db2.gz YQLYZKMTILYNAT-UZLBHIALSA-N 3 2 326.488 3.060 40 0 EGABLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3C)c2)[C@H](C)C1 ZINC000096476575 454363186 /nfs/dbraw/zinc/36/31/86/454363186.db2.gz YQLYZKMTILYNAT-UZLBHIALSA-N 3 2 326.488 3.060 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134842 456567204 /nfs/dbraw/zinc/56/72/04/456567204.db2.gz NZLKKQREBNZUGH-OALUTQOASA-N 2 2 330.435 3.249 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134842 456567212 /nfs/dbraw/zinc/56/72/12/456567212.db2.gz NZLKKQREBNZUGH-OALUTQOASA-N 2 2 330.435 3.249 40 0 EGABLP CCc1[nH]c(C[N@@H+]2CC[C@@H](OC)[C@H](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000585279516 459832244 /nfs/dbraw/zinc/83/22/44/459832244.db2.gz ZIKDTIARMWSLSN-IEBWSBKVSA-N 2 2 327.472 3.360 40 0 EGABLP CCc1[nH]c(C[N@H+]2CC[C@@H](OC)[C@H](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000585279516 459832249 /nfs/dbraw/zinc/83/22/49/459832249.db2.gz ZIKDTIARMWSLSN-IEBWSBKVSA-N 2 2 327.472 3.360 40 0 EGABLP C[N@H+](Cc1cc2ccccc2o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178529970 529981030 /nfs/dbraw/zinc/98/10/30/529981030.db2.gz RQIGCWJUUGFVLB-UHFFFAOYSA-N 2 2 338.455 3.226 40 0 EGABLP C[N@@H+](Cc1cc2ccccc2o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178529970 529981031 /nfs/dbraw/zinc/98/10/31/529981031.db2.gz RQIGCWJUUGFVLB-UHFFFAOYSA-N 2 2 338.455 3.226 40 0 EGABLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000195556424 241004856 /nfs/dbraw/zinc/00/48/56/241004856.db2.gz PXTGGRLJMGLORH-INIZCTEOSA-N 2 2 341.421 3.272 40 0 EGABLP FC1(F)CC[N@H+](Cc2ccco2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051140 454273006 /nfs/dbraw/zinc/27/30/06/454273006.db2.gz SELGKGLSDVYEJI-QGZVFWFLSA-N 2 2 333.382 3.412 40 0 EGABLP FC1(F)CC[N@@H+](Cc2ccco2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051140 454273009 /nfs/dbraw/zinc/27/30/09/454273009.db2.gz SELGKGLSDVYEJI-QGZVFWFLSA-N 2 2 333.382 3.412 40 0 EGABLP Cc1nc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cs1 ZINC000096222922 454309071 /nfs/dbraw/zinc/30/90/71/454309071.db2.gz QVHISMZMIDJTDG-YJBOKZPZSA-N 2 2 344.484 3.082 40 0 EGABLP Cc1nc(C[N@H+]2CCC[C@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cs1 ZINC000096222922 454309077 /nfs/dbraw/zinc/30/90/77/454309077.db2.gz QVHISMZMIDJTDG-YJBOKZPZSA-N 2 2 344.484 3.082 40 0 EGABLP CCn1cc(CC[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)cn1 ZINC000253416860 455842406 /nfs/dbraw/zinc/84/24/06/455842406.db2.gz DZSDJGFVXWTGAS-UHFFFAOYSA-N 2 2 337.471 3.441 40 0 EGABLP COc1cc(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)ccc1F ZINC000257302896 455886838 /nfs/dbraw/zinc/88/68/38/455886838.db2.gz SEWNADWCSYLPEY-QGZVFWFLSA-N 2 2 344.434 3.023 40 0 EGABLP COc1cc(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)ccc1F ZINC000257302896 455886844 /nfs/dbraw/zinc/88/68/44/455886844.db2.gz SEWNADWCSYLPEY-QGZVFWFLSA-N 2 2 344.434 3.023 40 0 EGABLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000195556440 455985449 /nfs/dbraw/zinc/98/54/49/455985449.db2.gz PHYIJFVUNLUUES-HOTGVXAUSA-N 2 2 344.425 3.373 40 0 EGABLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000195557670 455985578 /nfs/dbraw/zinc/98/55/78/455985578.db2.gz MKPGCMMGZRJTOV-OAHLLOKOSA-N 2 2 336.439 3.494 40 0 EGABLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc3ccccc3o2)nc[nH+]1 ZINC000109070009 1293087092 /nfs/dbraw/zinc/08/70/92/1293087092.db2.gz GOZPNTQJXAEKTE-HNNXBMFYSA-N 2 2 337.427 3.023 40 0 EGABLP COc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355484 216164991 /nfs/dbraw/zinc/16/49/91/216164991.db2.gz LBYPOKLLRUJHCZ-QGZVFWFLSA-N 2 2 349.438 3.051 40 0 EGABLP COc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355484 216164993 /nfs/dbraw/zinc/16/49/93/216164993.db2.gz LBYPOKLLRUJHCZ-QGZVFWFLSA-N 2 2 349.438 3.051 40 0 EGABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350541 216162137 /nfs/dbraw/zinc/16/21/37/216162137.db2.gz JWYDSVYREGKLJU-LJQANCHMSA-N 2 2 347.466 3.393 40 0 EGABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350541 216162141 /nfs/dbraw/zinc/16/21/41/216162141.db2.gz JWYDSVYREGKLJU-LJQANCHMSA-N 2 2 347.466 3.393 40 0 EGABLP c1cn(-c2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)c[nH+]1 ZINC000072355495 216164272 /nfs/dbraw/zinc/16/42/72/216164272.db2.gz QCOIBEVEHNCCLQ-UHFFFAOYSA-N 2 2 333.439 3.084 40 0 EGABLP Cc1nc(C[N@@H+]2CCC3(CC(Nc4cc(C)[nH+]cn4)C3)C2)cs1 ZINC000257235424 244227704 /nfs/dbraw/zinc/22/77/04/244227704.db2.gz GXULXXWCLCVXPX-UHFFFAOYSA-N 2 2 329.473 3.017 40 0 EGABLP Cc1nc(C[N@H+]2CCC3(CC(Nc4cc(C)[nH+]cn4)C3)C2)cs1 ZINC000257235424 244227710 /nfs/dbraw/zinc/22/77/10/244227710.db2.gz GXULXXWCLCVXPX-UHFFFAOYSA-N 2 2 329.473 3.017 40 0 EGABLP C[NH+](C)C1CCC2(CC1)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1O2 ZINC000019583950 212047035 /nfs/dbraw/zinc/04/70/35/212047035.db2.gz TUWWHFXYWJDMIH-UHFFFAOYSA-N 2 2 340.471 3.047 40 0 EGABLP C[NH+](C)C1CCC2(CC1)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1O2 ZINC000019583950 212047038 /nfs/dbraw/zinc/04/70/38/212047038.db2.gz TUWWHFXYWJDMIH-UHFFFAOYSA-N 2 2 340.471 3.047 40 0 EGABLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000097234134 323215110 /nfs/dbraw/zinc/21/51/10/323215110.db2.gz ZCFQICOEVXRMDF-INIZCTEOSA-N 2 2 342.487 3.136 40 0 EGABLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189887748 455250290 /nfs/dbraw/zinc/25/02/90/455250290.db2.gz XLLVUXSRFSSZFK-AUUYWEPGSA-N 2 2 325.387 3.396 40 0 EGABLP C[C@@H]1Cc2cc(C[N@H+](CCC[NH+](C)C)Cc3ccccn3)ccc2O1 ZINC000057797231 454147358 /nfs/dbraw/zinc/14/73/58/454147358.db2.gz POZBVTMXHVSVJV-QGZVFWFLSA-N 2 2 339.483 3.359 40 0 EGABLP C[C@@H]1Cc2cc(C[N@@H+](CCC[NH+](C)C)Cc3ccccn3)ccc2O1 ZINC000057797231 454147361 /nfs/dbraw/zinc/14/73/61/454147361.db2.gz POZBVTMXHVSVJV-QGZVFWFLSA-N 2 2 339.483 3.359 40 0 EGABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096037058 454265506 /nfs/dbraw/zinc/26/55/06/454265506.db2.gz XHWJYWBXIRFLJR-UHFFFAOYSA-N 2 2 344.528 3.388 40 0 EGABLP Cc1ncsc1C[NH+]1CCC2(CC[C@H](COCC3CC3)[N@H+]2C)CC1 ZINC000096208238 454304020 /nfs/dbraw/zinc/30/40/20/454304020.db2.gz GWNQZFVECXOLSM-QGZVFWFLSA-N 2 2 349.544 3.307 40 0 EGABLP Cc1ncsc1C[NH+]1CCC2(CC[C@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096208238 454304025 /nfs/dbraw/zinc/30/40/25/454304025.db2.gz GWNQZFVECXOLSM-QGZVFWFLSA-N 2 2 349.544 3.307 40 0 EGABLP C[NH+](C)CC[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000248082775 535925527 /nfs/dbraw/zinc/92/55/27/535925527.db2.gz DBTRCYSMJJGUDN-AWEZNQCLSA-N 2 2 336.842 3.184 40 0 EGABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072355512 216164741 /nfs/dbraw/zinc/16/47/41/216164741.db2.gz MRIIMLWERGELSV-OAHLLOKOSA-N 2 2 325.460 3.347 40 0 EGABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072355512 216164743 /nfs/dbraw/zinc/16/47/43/216164743.db2.gz MRIIMLWERGELSV-OAHLLOKOSA-N 2 2 325.460 3.347 40 0 EGABLP Fc1ccc(C[NH+]2CCC(c3nccnc3-n3cc[nH+]c3)CC2)cc1 ZINC000072350499 216162482 /nfs/dbraw/zinc/16/24/82/216162482.db2.gz SKDSNQNRKLNZGG-UHFFFAOYSA-N 2 2 337.402 3.181 40 0 EGABLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000097236307 323215205 /nfs/dbraw/zinc/21/52/05/323215205.db2.gz ZMSKDVHJWRXHMO-GFCCVEGCSA-N 2 2 344.377 3.483 40 0 EGABLP c1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccn2)CCO3)cs1 ZINC000096048957 454271344 /nfs/dbraw/zinc/27/13/44/454271344.db2.gz RUXNVPLYSDOOJK-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccn2)CCO3)cs1 ZINC000096048957 454271349 /nfs/dbraw/zinc/27/13/49/454271349.db2.gz RUXNVPLYSDOOJK-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)s1 ZINC000096062465 454278210 /nfs/dbraw/zinc/27/82/10/454278210.db2.gz RNBRFSVBWVBMBL-IBGZPJMESA-N 2 2 343.496 3.180 40 0 EGABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)s1 ZINC000096062465 454278212 /nfs/dbraw/zinc/27/82/12/454278212.db2.gz RNBRFSVBWVBMBL-IBGZPJMESA-N 2 2 343.496 3.180 40 0 EGABLP OCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000248763067 455729695 /nfs/dbraw/zinc/72/96/95/455729695.db2.gz DWCYDJFNLYTUQD-YSTOQKLRSA-N 2 2 340.467 3.488 40 0 EGABLP OCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000248763067 455729699 /nfs/dbraw/zinc/72/96/99/455729699.db2.gz DWCYDJFNLYTUQD-YSTOQKLRSA-N 2 2 340.467 3.488 40 0 EGABLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000585141596 459829462 /nfs/dbraw/zinc/82/94/62/459829462.db2.gz XUBYVQVKOFBSEU-CQSZACIVSA-N 2 2 343.418 3.071 40 0 EGABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)c[nH+]1 ZINC000072355494 216165016 /nfs/dbraw/zinc/16/50/16/216165016.db2.gz HHHZRRKAWOUHDZ-GOSISDBHSA-N 2 2 333.439 3.084 40 0 EGABLP c1cn(-c2cncc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)c[nH+]1 ZINC000072355494 216165020 /nfs/dbraw/zinc/16/50/20/216165020.db2.gz HHHZRRKAWOUHDZ-GOSISDBHSA-N 2 2 333.439 3.084 40 0 EGABLP CCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3C)n2)cn1 ZINC000072355507 216163687 /nfs/dbraw/zinc/16/36/87/216163687.db2.gz HGYVJZRGOJMJGU-SFHVURJKSA-N 2 2 336.443 3.129 40 0 EGABLP CCn1cc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3C)n2)cn1 ZINC000072355507 216163688 /nfs/dbraw/zinc/16/36/88/216163688.db2.gz HGYVJZRGOJMJGU-SFHVURJKSA-N 2 2 336.443 3.129 40 0 EGABLP Clc1ccccc1C[N@@H+]1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019349354 212019390 /nfs/dbraw/zinc/01/93/90/212019390.db2.gz NAHDMKRHOQVBIB-UHFFFAOYSA-N 2 2 342.874 3.155 40 0 EGABLP Clc1ccccc1C[N@H+]1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019349354 212019391 /nfs/dbraw/zinc/01/93/91/212019391.db2.gz NAHDMKRHOQVBIB-UHFFFAOYSA-N 2 2 342.874 3.155 40 0 EGABLP C[NH+]1CC[C@@]2([C@@]34CC[N@@H+](C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000013837636 453491708 /nfs/dbraw/zinc/49/17/08/453491708.db2.gz HOYXPMHLHJOGHD-FNAHDJPLSA-N 2 2 346.478 3.037 40 0 biogenic,in-vitro EGABLP C[NH+]1CC[C@@]2([C@@]34CC[N@H+](C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000013837636 453491717 /nfs/dbraw/zinc/49/17/17/453491717.db2.gz HOYXPMHLHJOGHD-FNAHDJPLSA-N 2 2 346.478 3.037 40 0 biogenic,in-vitro EGABLP C[NH+](C)CC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000248082781 455680049 /nfs/dbraw/zinc/68/00/49/455680049.db2.gz DBTRCYSMJJGUDN-CQSZACIVSA-N 2 2 336.842 3.184 40 0 EGABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000257285647 455883129 /nfs/dbraw/zinc/88/31/29/455883129.db2.gz PIDIJRWZENKFGH-FQEVSTJZSA-N 2 2 347.466 3.424 40 0 EGABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000257285647 455883133 /nfs/dbraw/zinc/88/31/33/455883133.db2.gz PIDIJRWZENKFGH-FQEVSTJZSA-N 2 2 347.466 3.424 40 0 EGABLP C[NH+](C)CCc1ccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)cc1 ZINC000629733001 460895298 /nfs/dbraw/zinc/89/52/98/460895298.db2.gz XRQRWMFYASRKRM-LJQANCHMSA-N 2 2 325.456 3.444 40 0 EGABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072355700 216163803 /nfs/dbraw/zinc/16/38/03/216163803.db2.gz PXWOPORYJQFIPG-INIZCTEOSA-N 2 2 334.427 3.058 40 0 EGABLP CN(C)c1ncccc1C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019719787 212057365 /nfs/dbraw/zinc/05/73/65/212057365.db2.gz JWWTVFSZZVAWLY-MRXNPFEDSA-N 2 2 349.482 3.479 40 0 EGABLP CN(C)c1ncccc1C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019719787 212057367 /nfs/dbraw/zinc/05/73/67/212057367.db2.gz JWWTVFSZZVAWLY-MRXNPFEDSA-N 2 2 349.482 3.479 40 0 EGABLP c1csc(C[N@@H+]2CC[C@@]3(C2)COCC[NH+](Cc2ccoc2)C3)c1 ZINC000096087617 454280073 /nfs/dbraw/zinc/28/00/73/454280073.db2.gz QKQRLVGGYGBEPI-SFHVURJKSA-N 2 2 332.469 3.066 40 0 EGABLP c1csc(C[N@H+]2CC[C@@]3(C2)COCC[NH+](Cc2ccoc2)C3)c1 ZINC000096087617 454280077 /nfs/dbraw/zinc/28/00/77/454280077.db2.gz QKQRLVGGYGBEPI-SFHVURJKSA-N 2 2 332.469 3.066 40 0 EGABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@H+](Cc2ccoc2)C3)c1 ZINC000096087617 454280078 /nfs/dbraw/zinc/28/00/78/454280078.db2.gz QKQRLVGGYGBEPI-SFHVURJKSA-N 2 2 332.469 3.066 40 0 EGABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@@H+](Cc2ccoc2)C3)c1 ZINC000096087617 454280081 /nfs/dbraw/zinc/28/00/81/454280081.db2.gz QKQRLVGGYGBEPI-SFHVURJKSA-N 2 2 332.469 3.066 40 0 EGABLP COc1ccc(OC(F)F)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093644344 218238526 /nfs/dbraw/zinc/23/85/26/218238526.db2.gz BLHJUEGOKIKWBM-GXTWGEPZSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093644344 218238528 /nfs/dbraw/zinc/23/85/28/218238528.db2.gz BLHJUEGOKIKWBM-GXTWGEPZSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000093644344 218238530 /nfs/dbraw/zinc/23/85/30/218238530.db2.gz BLHJUEGOKIKWBM-GXTWGEPZSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000093644344 218238532 /nfs/dbraw/zinc/23/85/32/218238532.db2.gz BLHJUEGOKIKWBM-GXTWGEPZSA-N 2 2 328.403 3.211 40 0 EGABLP C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478791 218854966 /nfs/dbraw/zinc/85/49/66/218854966.db2.gz YYWNTCGKVWMCKR-ZFWWWQNUSA-N 2 2 338.377 3.160 40 0 EGABLP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000141184104 454827175 /nfs/dbraw/zinc/82/71/75/454827175.db2.gz JORFOQFEPOWZMD-SJORKVTESA-N 2 2 331.257 3.376 40 0 EGABLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)o1 ZINC000096046947 454270394 /nfs/dbraw/zinc/27/03/94/454270394.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)o1 ZINC000096046947 454270398 /nfs/dbraw/zinc/27/03/98/454270398.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)o1 ZINC000096046947 454270400 /nfs/dbraw/zinc/27/04/00/454270400.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)o1 ZINC000096046947 454270403 /nfs/dbraw/zinc/27/04/03/454270403.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1cccn2cc(CC[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)[nH+]c12 ZINC000097103770 454407024 /nfs/dbraw/zinc/40/70/24/454407024.db2.gz NPUMAPMDRXYZOW-GOSISDBHSA-N 2 2 331.423 3.288 40 0 EGABLP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000141184104 454827170 /nfs/dbraw/zinc/82/71/70/454827170.db2.gz JORFOQFEPOWZMD-SJORKVTESA-N 2 2 331.257 3.376 40 0 EGABLP OCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000248763058 455729403 /nfs/dbraw/zinc/72/94/03/455729403.db2.gz DWCYDJFNLYTUQD-IYWMVGAKSA-N 2 2 340.467 3.488 40 0 EGABLP OCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000248763058 455729406 /nfs/dbraw/zinc/72/94/06/455729406.db2.gz DWCYDJFNLYTUQD-IYWMVGAKSA-N 2 2 340.467 3.488 40 0 EGABLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000253418422 455842075 /nfs/dbraw/zinc/84/20/75/455842075.db2.gz VIYSKFIWSLJPPR-GOSISDBHSA-N 2 2 342.443 3.131 40 0 EGABLP Cc1cc(N)cc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)[nH+]1 ZINC000257310185 455889447 /nfs/dbraw/zinc/88/94/47/455889447.db2.gz UEAXGLQZEMUGAL-HXUWFJFHSA-N 2 2 334.423 3.094 40 0 EGABLP Cc1cc(N)cc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)[nH+]1 ZINC000257310185 455889449 /nfs/dbraw/zinc/88/94/49/455889449.db2.gz UEAXGLQZEMUGAL-HXUWFJFHSA-N 2 2 334.423 3.094 40 0 EGABLP Cn1c[nH+]cc1-c1cc(CC2CC[NH+](Cc3cccnc3)CC2)ccn1 ZINC000257321156 455890953 /nfs/dbraw/zinc/89/09/53/455890953.db2.gz WAHZBNGATOPRMC-UHFFFAOYSA-N 2 2 347.466 3.332 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccncc2)Cc2ccccc21 ZINC000306140569 456566746 /nfs/dbraw/zinc/56/67/46/456566746.db2.gz UXNIZJSYFLSBGO-HXUWFJFHSA-N 2 2 348.450 3.072 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccncc2)Cc2ccccc21 ZINC000306140569 456566748 /nfs/dbraw/zinc/56/67/48/456566748.db2.gz UXNIZJSYFLSBGO-HXUWFJFHSA-N 2 2 348.450 3.072 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccncc2)Cc2ccccc21 ZINC000306140568 456567803 /nfs/dbraw/zinc/56/78/03/456567803.db2.gz UXNIZJSYFLSBGO-FQEVSTJZSA-N 2 2 348.450 3.072 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccncc2)Cc2ccccc21 ZINC000306140568 456567809 /nfs/dbraw/zinc/56/78/09/456567809.db2.gz UXNIZJSYFLSBGO-FQEVSTJZSA-N 2 2 348.450 3.072 40 0 EGABLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000069171403 215366946 /nfs/dbraw/zinc/36/69/46/215366946.db2.gz DYYJICILIIQTRR-HXUWFJFHSA-N 2 2 345.437 3.043 40 0 EGABLP COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350512 216162012 /nfs/dbraw/zinc/16/20/12/216162012.db2.gz LXRWHWPFZBZOFZ-QGZVFWFLSA-N 2 2 349.438 3.051 40 0 EGABLP COc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350512 216162014 /nfs/dbraw/zinc/16/20/14/216162014.db2.gz LXRWHWPFZBZOFZ-QGZVFWFLSA-N 2 2 349.438 3.051 40 0 EGABLP COCC(=O)N1CCC[C@@H]1c1cc(Nc2[nH+]cccc2C)cc(C)[nH+]1 ZINC000072372525 216178252 /nfs/dbraw/zinc/17/82/52/216178252.db2.gz YJYTWKCWMPSNFH-QGZVFWFLSA-N 2 2 340.427 3.147 40 0 EGABLP CCc1[nH+]ccn1CCC(=O)Nc1ccc2c(c1)[nH+]c(CC)n2CC ZINC000019523659 212038151 /nfs/dbraw/zinc/03/81/51/212038151.db2.gz UIDCSWAJQZDMSS-UHFFFAOYSA-N 2 2 339.443 3.406 40 0 EGABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269344 /nfs/dbraw/zinc/26/93/44/454269344.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 2 2 342.462 3.047 40 0 EGABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269349 /nfs/dbraw/zinc/26/93/49/454269349.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 2 2 342.462 3.047 40 0 EGABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269352 /nfs/dbraw/zinc/26/93/52/454269352.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 2 2 342.462 3.047 40 0 EGABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269356 /nfs/dbraw/zinc/26/93/56/454269356.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 2 2 342.462 3.047 40 0 EGABLP FC1(F)CC[N@H+](Cc2ccoc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051142 454272829 /nfs/dbraw/zinc/27/28/29/454272829.db2.gz HKTBKJUXFGVCAM-QGZVFWFLSA-N 2 2 333.382 3.412 40 0 EGABLP FC1(F)CC[N@@H+](Cc2ccoc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051142 454272833 /nfs/dbraw/zinc/27/28/33/454272833.db2.gz HKTBKJUXFGVCAM-QGZVFWFLSA-N 2 2 333.382 3.412 40 0 EGABLP c1csc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)n1 ZINC000096208620 454304777 /nfs/dbraw/zinc/30/47/77/454304777.db2.gz IEEMBRMPEPPBFO-QAPCUYQASA-N 2 2 344.484 3.021 40 0 EGABLP c1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)n1 ZINC000096208620 454304781 /nfs/dbraw/zinc/30/47/81/454304781.db2.gz IEEMBRMPEPPBFO-QAPCUYQASA-N 2 2 344.484 3.021 40 0 EGABLP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c2c(c1)OCCCO2 ZINC000096452790 454356478 /nfs/dbraw/zinc/35/64/78/454356478.db2.gz IHHDQIAFKVZYEU-UHFFFAOYSA-N 2 2 330.472 3.345 40 0 EGABLP Cc1cc(NCCNC(=S)Nc2cc[nH+]cc2)c2ccccc2[nH+]1 ZINC000225217653 456076004 /nfs/dbraw/zinc/07/60/04/456076004.db2.gz GBFNZHKSJNXFMG-UHFFFAOYSA-N 2 2 337.452 3.337 40 0 EGABLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000585141591 459829534 /nfs/dbraw/zinc/82/95/34/459829534.db2.gz XUBYVQVKOFBSEU-AWEZNQCLSA-N 2 2 343.418 3.071 40 0 EGABLP Clc1cccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293427 202003048 /nfs/dbraw/zinc/00/30/48/202003048.db2.gz JQOZLUHFJJHFAF-QGZVFWFLSA-N 2 2 328.847 3.113 40 0 EGABLP Clc1cccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293427 202003052 /nfs/dbraw/zinc/00/30/52/202003052.db2.gz JQOZLUHFJJHFAF-QGZVFWFLSA-N 2 2 328.847 3.113 40 0 EGABLP Nc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000193402025 240151480 /nfs/dbraw/zinc/15/14/80/240151480.db2.gz AHKXTCYGHZPTFY-PMACEKPBSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000193402025 240151484 /nfs/dbraw/zinc/15/14/84/240151484.db2.gz AHKXTCYGHZPTFY-PMACEKPBSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000193402025 240151487 /nfs/dbraw/zinc/15/14/87/240151487.db2.gz AHKXTCYGHZPTFY-PMACEKPBSA-N 2 2 336.483 3.150 40 0 EGABLP Nc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000193402025 240151493 /nfs/dbraw/zinc/15/14/93/240151493.db2.gz AHKXTCYGHZPTFY-PMACEKPBSA-N 2 2 336.483 3.150 40 0 EGABLP Cc1[nH+]cc(-c2nccnc2CC2CC[NH+](CC(C)C)CC2)n1C ZINC000257223377 244190824 /nfs/dbraw/zinc/19/08/24/244190824.db2.gz DXBHBRKCLWHMQO-UHFFFAOYSA-N 2 2 327.476 3.096 40 0 EGABLP COCC(=O)N1CCC[C@H]1c1cc(Nc2[nH+]cccc2C)cc(C)[nH+]1 ZINC000072372524 203209053 /nfs/dbraw/zinc/20/90/53/203209053.db2.gz YJYTWKCWMPSNFH-KRWDZBQOSA-N 2 2 340.427 3.147 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000072355699 203204964 /nfs/dbraw/zinc/20/49/64/203204964.db2.gz FUZNBLHMDWOMND-MRXNPFEDSA-N 2 2 334.427 3.270 40 0 EGABLP CCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C)n2)cn1 ZINC000072355506 203205384 /nfs/dbraw/zinc/20/53/84/203205384.db2.gz HGYVJZRGOJMJGU-GOSISDBHSA-N 2 2 336.443 3.129 40 0 EGABLP CCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C)n2)cn1 ZINC000072355506 203205387 /nfs/dbraw/zinc/20/53/87/203205387.db2.gz HGYVJZRGOJMJGU-GOSISDBHSA-N 2 2 336.443 3.129 40 0 EGABLP C[C@@H](C[NH+]1CCOCC1)n1c[nH+]cc1-c1ccc2c(c1)CC(C)(C)O2 ZINC000019719672 286849659 /nfs/dbraw/zinc/84/96/59/286849659.db2.gz QBRWMKWQCYOLCC-HNNXBMFYSA-N 2 2 341.455 3.157 40 0 EGABLP Cn1c2ccccc2nc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000125983258 323218018 /nfs/dbraw/zinc/21/80/18/323218018.db2.gz GLRPKXFQWIEWPP-IBGZPJMESA-N 2 2 331.423 3.149 40 0 EGABLP CCn1cncc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC000012116598 453344433 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EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306138270 456567329 /nfs/dbraw/zinc/56/73/29/456567329.db2.gz RTVCZACNJSGRPG-RTBURBONSA-N 2 2 330.435 3.249 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@H]1C[N@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306138270 456567338 /nfs/dbraw/zinc/56/73/38/456567338.db2.gz RTVCZACNJSGRPG-RTBURBONSA-N 2 2 330.435 3.249 40 0 EGABLP Cc1ccc(C(=O)Nc2cccc(C[NH2+]CC[NH+]3CCCC3)c2)cc1 ZINC000023480230 212380369 /nfs/dbraw/zinc/38/03/69/212380369.db2.gz ZBIXGVSTNGDVFS-UHFFFAOYSA-N 2 2 337.467 3.433 40 0 EGABLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355444 203204343 /nfs/dbraw/zinc/20/43/43/203204343.db2.gz DYLDDWCYTGEHCU-MRXNPFEDSA-N 2 2 337.402 3.181 40 0 EGABLP Fc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355444 203204345 /nfs/dbraw/zinc/20/43/45/203204345.db2.gz DYLDDWCYTGEHCU-MRXNPFEDSA-N 2 2 337.402 3.181 40 0 EGABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cnc(C)nc2)n1 ZINC000072366764 203208122 /nfs/dbraw/zinc/20/81/22/203208122.db2.gz RUUVNRMNGONUBH-GOSISDBHSA-N 2 2 334.427 3.011 40 0 EGABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cnc(C)nc2)n1 ZINC000072366764 203208124 /nfs/dbraw/zinc/20/81/24/203208124.db2.gz RUUVNRMNGONUBH-GOSISDBHSA-N 2 2 334.427 3.011 40 0 EGABLP COC(=O)c1ccc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000095411644 218349199 /nfs/dbraw/zinc/34/91/99/218349199.db2.gz VTQLXSDRBQSDBZ-UHFFFAOYSA-N 2 2 345.468 3.031 40 0 EGABLP COC(=O)c1ccc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000095411644 218349200 /nfs/dbraw/zinc/34/92/00/218349200.db2.gz VTQLXSDRBQSDBZ-UHFFFAOYSA-N 2 2 345.468 3.031 40 0 EGABLP CCOc1cc2c(cc1OCC)[C@@H](c1[nH]c(CC)[nH+]c1C)[NH2+]CC2 ZINC000005686677 452896274 /nfs/dbraw/zinc/89/62/74/452896274.db2.gz CKLJQZXCQMLTJE-IBGZPJMESA-N 2 2 329.444 3.313 40 0 EGABLP Cc1cc(N2CCC(Nc3cc[nH+]c4ccncc34)CC2)nc(C)[nH+]1 ZINC000085689739 454037339 /nfs/dbraw/zinc/03/73/39/454037339.db2.gz FQQIUVCSEFJKFS-UHFFFAOYSA-N 2 2 334.427 3.118 40 0 EGABLP c1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)cs1 ZINC000096048932 454271762 /nfs/dbraw/zinc/27/17/62/454271762.db2.gz NBGVEPCYOQBELU-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)cs1 ZINC000096048932 454271765 /nfs/dbraw/zinc/27/17/65/454271765.db2.gz NBGVEPCYOQBELU-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP Cc1nc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cs1 ZINC000096222925 454309286 /nfs/dbraw/zinc/30/92/86/454309286.db2.gz QVHISMZMIDJTDG-MAUKXSAKSA-N 2 2 344.484 3.082 40 0 EGABLP Cc1nc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cs1 ZINC000096222925 454309289 /nfs/dbraw/zinc/30/92/89/454309289.db2.gz QVHISMZMIDJTDG-MAUKXSAKSA-N 2 2 344.484 3.082 40 0 EGABLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000195556438 455985042 /nfs/dbraw/zinc/98/50/42/455985042.db2.gz PHYIJFVUNLUUES-CVEARBPZSA-N 2 2 344.425 3.373 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2cccnc2)Cc2ccccc21 ZINC000306128489 547459807 /nfs/dbraw/zinc/45/98/07/547459807.db2.gz HBNDUEMRHWWPOW-HXUWFJFHSA-N 2 2 348.450 3.072 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2cccnc2)Cc2ccccc21 ZINC000306128489 547459809 /nfs/dbraw/zinc/45/98/09/547459809.db2.gz HBNDUEMRHWWPOW-HXUWFJFHSA-N 2 2 348.450 3.072 40 0 EGABLP Cc1cc2ncc([C@@H](C)[NH2+]CCc3cn4cccc(C)c4[nH+]3)c(C)n2n1 ZINC000091732161 203075703 /nfs/dbraw/zinc/07/57/03/203075703.db2.gz BZGYYMSZAIMLFW-OAHLLOKOSA-N 2 2 348.454 3.196 40 0 EGABLP c1csc(C[N@H+]2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000253588813 244025135 /nfs/dbraw/zinc/02/51/35/244025135.db2.gz UANJHQDFWZZSGJ-HNNXBMFYSA-N 2 2 339.468 3.084 40 0 EGABLP c1csc(C[N@@H+]2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000253588813 244025140 /nfs/dbraw/zinc/02/51/40/244025140.db2.gz UANJHQDFWZZSGJ-HNNXBMFYSA-N 2 2 339.468 3.084 40 0 EGABLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544609 309087732 /nfs/dbraw/zinc/08/77/32/309087732.db2.gz PECXYSHZTWPPPJ-MRXNPFEDSA-N 2 2 332.879 3.326 40 0 EGABLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544609 309087733 /nfs/dbraw/zinc/08/77/33/309087733.db2.gz PECXYSHZTWPPPJ-MRXNPFEDSA-N 2 2 332.879 3.326 40 0 EGABLP Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215981 454305168 /nfs/dbraw/zinc/30/51/68/454305168.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 2 2 329.444 3.373 40 0 EGABLP Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215981 454305170 /nfs/dbraw/zinc/30/51/70/454305170.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 2 2 329.444 3.373 40 0 EGABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096215981 454305174 /nfs/dbraw/zinc/30/51/74/454305174.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 2 2 329.444 3.373 40 0 EGABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096215981 454305180 /nfs/dbraw/zinc/30/51/80/454305180.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 2 2 329.444 3.373 40 0 EGABLP c1csc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096226372 454308513 /nfs/dbraw/zinc/30/85/13/454308513.db2.gz UTJPCEZKOSTZEA-SFHVURJKSA-N 2 2 329.469 3.015 40 0 EGABLP c1csc(C[N@H+]2CCO[C@@]3(CCCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096226372 454308516 /nfs/dbraw/zinc/30/85/16/454308516.db2.gz UTJPCEZKOSTZEA-SFHVURJKSA-N 2 2 329.469 3.015 40 0 EGABLP CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2CC2CCOCC2)[nH+]1 ZINC000257331540 455893495 /nfs/dbraw/zinc/89/34/95/455893495.db2.gz XTHVAPRFRNQDKH-LJQANCHMSA-N 2 2 331.504 3.361 40 0 EGABLP CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2CC2CCOCC2)[nH+]1 ZINC000257331540 455893499 /nfs/dbraw/zinc/89/34/99/455893499.db2.gz XTHVAPRFRNQDKH-LJQANCHMSA-N 2 2 331.504 3.361 40 0 EGABLP Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000299375090 456671913 /nfs/dbraw/zinc/67/19/13/456671913.db2.gz LUDHYWLNWNVGFX-INIZCTEOSA-N 2 2 325.460 3.379 40 0 EGABLP Cc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000299375090 456671921 /nfs/dbraw/zinc/67/19/21/456671921.db2.gz LUDHYWLNWNVGFX-INIZCTEOSA-N 2 2 325.460 3.379 40 0 EGABLP C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000156123780 201399182 /nfs/dbraw/zinc/39/91/82/201399182.db2.gz IEYBNWRDJCUEPD-OAHLLOKOSA-N 2 2 327.428 3.209 40 0 EGABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072355701 203204873 /nfs/dbraw/zinc/20/48/73/203204873.db2.gz PXWOPORYJQFIPG-MRXNPFEDSA-N 2 2 334.427 3.058 40 0 EGABLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305244 /nfs/dbraw/zinc/30/52/44/454305244.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305247 /nfs/dbraw/zinc/30/52/47/454305247.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305253 /nfs/dbraw/zinc/30/52/53/454305253.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305259 /nfs/dbraw/zinc/30/52/59/454305259.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 2 2 325.456 3.471 40 0 EGABLP c1csc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137918 456568259 /nfs/dbraw/zinc/56/82/59/456568259.db2.gz RKCBXZLMELHCHT-HOTGVXAUSA-N 2 2 336.464 3.311 40 0 EGABLP c1csc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137918 456568264 /nfs/dbraw/zinc/56/82/64/456568264.db2.gz RKCBXZLMELHCHT-HOTGVXAUSA-N 2 2 336.464 3.311 40 0 EGABLP CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257204480 244129505 /nfs/dbraw/zinc/12/95/05/244129505.db2.gz AUUANBGQWHWTCQ-LJQANCHMSA-N 2 2 340.471 3.274 40 0 EGABLP CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257204480 244129510 /nfs/dbraw/zinc/12/95/10/244129510.db2.gz AUUANBGQWHWTCQ-LJQANCHMSA-N 2 2 340.471 3.274 40 0 EGABLP CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257204479 244130625 /nfs/dbraw/zinc/13/06/25/244130625.db2.gz AUUANBGQWHWTCQ-IBGZPJMESA-N 2 2 340.471 3.274 40 0 EGABLP CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257204479 244130632 /nfs/dbraw/zinc/13/06/32/244130632.db2.gz AUUANBGQWHWTCQ-IBGZPJMESA-N 2 2 340.471 3.274 40 0 EGABLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439402 453799580 /nfs/dbraw/zinc/79/95/80/453799580.db2.gz IUTNTJBEHPQFPJ-KRWDZBQOSA-N 2 2 335.536 3.116 40 0 EGABLP c1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)n1 ZINC000096074714 454279750 /nfs/dbraw/zinc/27/97/50/454279750.db2.gz RJLWSMBSMGZJMU-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP c1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)n1 ZINC000096074714 454279754 /nfs/dbraw/zinc/27/97/54/454279754.db2.gz RJLWSMBSMGZJMU-UHFFFAOYSA-N 2 2 343.496 3.010 40 0 EGABLP c1ccc(NC[C@H]2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)O2)[nH+]c1 ZINC000096215472 454305809 /nfs/dbraw/zinc/30/58/09/454305809.db2.gz RMSXJDRCQDYHCM-UYAOXDASSA-N 2 2 338.455 3.102 40 0 EGABLP c1ccc(NC[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)O2)[nH+]c1 ZINC000096215472 454305817 /nfs/dbraw/zinc/30/58/17/454305817.db2.gz RMSXJDRCQDYHCM-UYAOXDASSA-N 2 2 338.455 3.102 40 0 EGABLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3c[nH]nc3C)CC2)cc1F ZINC000097233889 454428667 /nfs/dbraw/zinc/42/86/67/454428667.db2.gz BVGWHBBIOHXZOC-CYBMUJFWSA-N 2 2 346.450 3.181 40 0 EGABLP OCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000248763054 455729803 /nfs/dbraw/zinc/72/98/03/455729803.db2.gz DWCYDJFNLYTUQD-HAGHYFMRSA-N 2 2 340.467 3.488 40 0 EGABLP OCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000248763054 455729808 /nfs/dbraw/zinc/72/98/08/455729808.db2.gz DWCYDJFNLYTUQD-HAGHYFMRSA-N 2 2 340.467 3.488 40 0 EGABLP CCc1[nH]c(C[N@@H+]2CC[C@@H](OC)[C@H](Cc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000585277823 459832677 /nfs/dbraw/zinc/83/26/77/459832677.db2.gz PTRKSKMJABOEPV-VQIMIIECSA-N 2 2 345.462 3.499 40 0 EGABLP CCc1[nH]c(C[N@H+]2CC[C@@H](OC)[C@H](Cc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000585277823 459832682 /nfs/dbraw/zinc/83/26/82/459832682.db2.gz PTRKSKMJABOEPV-VQIMIIECSA-N 2 2 345.462 3.499 40 0 EGABLP Clc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293426 202003151 /nfs/dbraw/zinc/00/31/51/202003151.db2.gz JQOZLUHFJJHFAF-KRWDZBQOSA-N 2 2 328.847 3.113 40 0 EGABLP Clc1cccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293426 202003154 /nfs/dbraw/zinc/00/31/54/202003154.db2.gz JQOZLUHFJJHFAF-KRWDZBQOSA-N 2 2 328.847 3.113 40 0 EGABLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192970346 201055865 /nfs/dbraw/zinc/05/58/65/201055865.db2.gz PIZCCVDSKBZHST-UHFFFAOYSA-N 2 2 340.471 3.367 40 0 EGABLP Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)o1 ZINC000096206110 454304680 /nfs/dbraw/zinc/30/46/80/454304680.db2.gz DQHABEKVKMDZCP-QUCCMNQESA-N 2 2 341.455 3.466 40 0 EGABLP Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)o1 ZINC000096206110 454304681 /nfs/dbraw/zinc/30/46/81/454304681.db2.gz DQHABEKVKMDZCP-QUCCMNQESA-N 2 2 341.455 3.466 40 0 EGABLP Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000079361764 454402245 /nfs/dbraw/zinc/40/22/45/454402245.db2.gz HONKKXNBSCADNX-MRXNPFEDSA-N 2 2 339.439 3.206 40 0 EGABLP Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000079361764 454402251 /nfs/dbraw/zinc/40/22/51/454402251.db2.gz HONKKXNBSCADNX-MRXNPFEDSA-N 2 2 339.439 3.206 40 0 EGABLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccsc2)C1 ZINC000253396867 455839256 /nfs/dbraw/zinc/83/92/56/455839256.db2.gz RKYLEWBNGAJUQG-HOCLYGCPSA-N 2 2 333.457 3.058 40 0 EGABLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccsc2)C1 ZINC000253396867 455839259 /nfs/dbraw/zinc/83/92/59/455839259.db2.gz RKYLEWBNGAJUQG-HOCLYGCPSA-N 2 2 333.457 3.058 40 0 EGABLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)[nH+]c12 ZINC000097228476 546691797 /nfs/dbraw/zinc/69/17/97/546691797.db2.gz CDRGUKVXCWQGQR-OYLFLEFRSA-N 2 2 341.480 3.273 40 0 EGABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000036740314 202330982 /nfs/dbraw/zinc/33/09/82/202330982.db2.gz MCPJTLFFMSPFAC-UHFFFAOYSA-N 2 2 336.439 3.379 40 0 EGABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000036740314 202330985 /nfs/dbraw/zinc/33/09/85/202330985.db2.gz MCPJTLFFMSPFAC-UHFFFAOYSA-N 2 2 336.439 3.379 40 0 EGABLP FC(F)(F)c1cnc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000097103371 454407056 /nfs/dbraw/zinc/40/70/56/454407056.db2.gz OYHKNDJBVPBNPW-UHFFFAOYSA-N 2 2 344.425 3.484 40 0 EGABLP CCc1nnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000252584909 455822444 /nfs/dbraw/zinc/82/24/44/455822444.db2.gz DSVBGXQXCLBIEQ-QWHZDKJVSA-N 2 2 344.528 3.347 40 0 EGABLP CCc1nnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000252584909 455822448 /nfs/dbraw/zinc/82/24/48/455822448.db2.gz DSVBGXQXCLBIEQ-QWHZDKJVSA-N 2 2 344.528 3.347 40 0 EGABLP CCC[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000195553439 455984040 /nfs/dbraw/zinc/98/40/40/455984040.db2.gz ADWGECQVGMNCFQ-LJQANCHMSA-N 2 2 330.451 3.113 40 0 EGABLP Cc1c[nH+]ccc1CC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000585141140 459829832 /nfs/dbraw/zinc/82/98/32/459829832.db2.gz PXOULUCDHYBVAU-UHFFFAOYSA-N 2 2 338.377 3.274 40 0 EGABLP Cc1nn(C)cc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000043277705 454053362 /nfs/dbraw/zinc/05/33/62/454053362.db2.gz XGBGVTNYHNJCEZ-UHFFFAOYSA-N 2 2 341.434 3.157 40 0 EGABLP Cc1nn(C)cc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000043277705 454053365 /nfs/dbraw/zinc/05/33/65/454053365.db2.gz XGBGVTNYHNJCEZ-UHFFFAOYSA-N 2 2 341.434 3.157 40 0 EGABLP c1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)cs1 ZINC000096058343 454276835 /nfs/dbraw/zinc/27/68/35/454276835.db2.gz VNPDQSKPGUUXAC-UFYCRDLUSA-N 2 2 340.492 3.351 40 0 EGABLP c1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)cs1 ZINC000096058343 454276837 /nfs/dbraw/zinc/27/68/37/454276837.db2.gz VNPDQSKPGUUXAC-UFYCRDLUSA-N 2 2 340.492 3.351 40 0 EGABLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000191464190 455487872 /nfs/dbraw/zinc/48/78/72/455487872.db2.gz BYLVTZDZFORBDH-LBPRGKRZSA-N 2 2 338.249 3.230 40 0 EGABLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000191464190 455487878 /nfs/dbraw/zinc/48/78/78/455487878.db2.gz BYLVTZDZFORBDH-LBPRGKRZSA-N 2 2 338.249 3.230 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccco2)Cc2ccccc21 ZINC000306144733 456569952 /nfs/dbraw/zinc/56/99/52/456569952.db2.gz ZNKUNLCYKUKXPO-IBGZPJMESA-N 2 2 337.423 3.270 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccco2)Cc2ccccc21 ZINC000306144733 456569960 /nfs/dbraw/zinc/56/99/60/456569960.db2.gz ZNKUNLCYKUKXPO-IBGZPJMESA-N 2 2 337.423 3.270 40 0 EGABLP CC(C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289222 458798630 /nfs/dbraw/zinc/79/86/30/458798630.db2.gz JVFPBOVPDFZDJC-IBGZPJMESA-N 2 2 333.495 3.062 40 0 biogenic,in-vitro EGABLP CC(C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289222 458798637 /nfs/dbraw/zinc/79/86/37/458798637.db2.gz JVFPBOVPDFZDJC-IBGZPJMESA-N 2 2 333.495 3.062 40 0 biogenic,in-vitro EGABLP CC(C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289222 458798642 /nfs/dbraw/zinc/79/86/42/458798642.db2.gz JVFPBOVPDFZDJC-IBGZPJMESA-N 2 2 333.495 3.062 40 0 biogenic,in-vitro EGABLP CC(C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289222 458798648 /nfs/dbraw/zinc/79/86/48/458798648.db2.gz JVFPBOVPDFZDJC-IBGZPJMESA-N 2 2 333.495 3.062 40 0 biogenic,in-vitro EGABLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)[nH+]c12 ZINC000097228477 546691076 /nfs/dbraw/zinc/69/10/76/546691076.db2.gz CDRGUKVXCWQGQR-OWJWWREXSA-N 2 2 341.480 3.273 40 0 EGABLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000069171041 215367358 /nfs/dbraw/zinc/36/73/58/215367358.db2.gz CTPSBSHRSNPJOZ-FQEVSTJZSA-N 2 2 345.437 3.043 40 0 EGABLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000035312106 213019487 /nfs/dbraw/zinc/01/94/87/213019487.db2.gz MQMAYLYRJOUAKP-QGZVFWFLSA-N 2 2 337.467 3.268 40 0 EGABLP c1cn(-c2cncc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)c[nH+]1 ZINC000072355493 216163702 /nfs/dbraw/zinc/16/37/02/216163702.db2.gz HHHZRRKAWOUHDZ-SFHVURJKSA-N 2 2 333.439 3.084 40 0 EGABLP c1cn(-c2cncc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)c[nH+]1 ZINC000072355493 216163705 /nfs/dbraw/zinc/16/37/05/216163705.db2.gz HHHZRRKAWOUHDZ-SFHVURJKSA-N 2 2 333.439 3.084 40 0 EGABLP CCc1cc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)nc(C)[nH+]1 ZINC000242047827 243007616 /nfs/dbraw/zinc/00/76/16/243007616.db2.gz VQKQYIKVLSETHH-UHFFFAOYSA-N 2 2 343.475 3.276 40 0 EGABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096037059 218518851 /nfs/dbraw/zinc/51/88/51/218518851.db2.gz UGOXJNWPLNSALR-UHFFFAOYSA-N 2 2 342.462 3.157 40 0 EGABLP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900283 455251591 /nfs/dbraw/zinc/25/15/91/455251591.db2.gz VTOCZENKZMWWPM-AUUYWEPGSA-N 2 2 325.387 3.396 40 0 EGABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1cccs1)CC2 ZINC000096037052 454265706 /nfs/dbraw/zinc/26/57/06/454265706.db2.gz LXLSGTATKKIBNB-UHFFFAOYSA-N 2 2 330.501 3.080 40 0 EGABLP c1coc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC000096215071 454304805 /nfs/dbraw/zinc/30/48/05/454304805.db2.gz VQNVCLXANKJDKF-CTNGQTDRSA-N 2 2 344.499 3.240 40 0 EGABLP c1coc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC000096215071 454304811 /nfs/dbraw/zinc/30/48/11/454304811.db2.gz VQNVCLXANKJDKF-CTNGQTDRSA-N 2 2 344.499 3.240 40 0 EGABLP c1coc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC000096215071 454304818 /nfs/dbraw/zinc/30/48/18/454304818.db2.gz VQNVCLXANKJDKF-CTNGQTDRSA-N 2 2 344.499 3.240 40 0 EGABLP c1coc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC000096215071 454304825 /nfs/dbraw/zinc/30/48/25/454304825.db2.gz VQNVCLXANKJDKF-CTNGQTDRSA-N 2 2 344.499 3.240 40 0 EGABLP c1cn(-c2ccc(CNc3cccc(C[NH+]4CCOCC4)c3)cc2)c[nH+]1 ZINC000096482801 454364809 /nfs/dbraw/zinc/36/48/09/454364809.db2.gz DHVVDEAAOCHHKF-UHFFFAOYSA-N 2 2 348.450 3.317 40 0 EGABLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000195553912 455984146 /nfs/dbraw/zinc/98/41/46/455984146.db2.gz PAXSWWDWSTWKIY-UHIISALHSA-N 2 2 344.425 3.338 40 0 EGABLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000195553912 455984149 /nfs/dbraw/zinc/98/41/49/455984149.db2.gz PAXSWWDWSTWKIY-UHIISALHSA-N 2 2 344.425 3.338 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccco2)Cc2ccccc21 ZINC000306144734 456569519 /nfs/dbraw/zinc/56/95/19/456569519.db2.gz ZNKUNLCYKUKXPO-LJQANCHMSA-N 2 2 337.423 3.270 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccco2)Cc2ccccc21 ZINC000306144734 456569523 /nfs/dbraw/zinc/56/95/23/456569523.db2.gz ZNKUNLCYKUKXPO-LJQANCHMSA-N 2 2 337.423 3.270 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccoc2)Cc2ccccc21 ZINC000306130485 547459656 /nfs/dbraw/zinc/45/96/56/547459656.db2.gz JHUASNUICFGCAD-IBGZPJMESA-N 2 2 337.423 3.270 40 0 EGABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccoc2)Cc2ccccc21 ZINC000306130485 547459660 /nfs/dbraw/zinc/45/96/60/547459660.db2.gz JHUASNUICFGCAD-IBGZPJMESA-N 2 2 337.423 3.270 40 0 EGABLP Clc1cccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228923969 575000150 /nfs/dbraw/zinc/00/01/50/575000150.db2.gz QSOWUYSAKDUMSA-UHFFFAOYSA-N 2 2 342.834 3.016 40 0 EGABLP CC[N@@H+]1CCC[C@@](O)(C[NH+](Cc2ccco2)Cc2cccs2)C1 ZINC000040714631 213373431 /nfs/dbraw/zinc/37/34/31/213373431.db2.gz IIDAWUUMUFXJQS-SFHVURJKSA-N 2 2 334.485 3.190 40 0 EGABLP CC[N@H+]1CCC[C@@](O)(C[NH+](Cc2ccco2)Cc2cccs2)C1 ZINC000040714631 213373433 /nfs/dbraw/zinc/37/34/33/213373433.db2.gz IIDAWUUMUFXJQS-SFHVURJKSA-N 2 2 334.485 3.190 40 0 EGABLP CC[NH+]1CCC[C@@](O)(C[N@H+](Cc2ccco2)Cc2cccs2)C1 ZINC000040714631 213373435 /nfs/dbraw/zinc/37/34/35/213373435.db2.gz IIDAWUUMUFXJQS-SFHVURJKSA-N 2 2 334.485 3.190 40 0 EGABLP CC[NH+]1CCC[C@@](O)(C[N@@H+](Cc2ccco2)Cc2cccs2)C1 ZINC000040714631 213373437 /nfs/dbraw/zinc/37/34/37/213373437.db2.gz IIDAWUUMUFXJQS-SFHVURJKSA-N 2 2 334.485 3.190 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cnc(C)nc2)n1 ZINC000072366766 216171846 /nfs/dbraw/zinc/17/18/46/216171846.db2.gz JPZGYFNAPIVDOE-SFHVURJKSA-N 2 2 348.454 3.265 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cnc(C)nc2)n1 ZINC000072366766 216171849 /nfs/dbraw/zinc/17/18/49/216171849.db2.gz JPZGYFNAPIVDOE-SFHVURJKSA-N 2 2 348.454 3.265 40 0 EGABLP CNc1ncccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC000019216477 212005502 /nfs/dbraw/zinc/00/55/02/212005502.db2.gz BWMMJDRGVLRDTJ-UHFFFAOYSA-N 2 2 339.443 3.314 40 0 EGABLP CNc1ncccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC000019216477 212005504 /nfs/dbraw/zinc/00/55/04/212005504.db2.gz BWMMJDRGVLRDTJ-UHFFFAOYSA-N 2 2 339.443 3.314 40 0 EGABLP COc1ccc(OC(F)F)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644345 218238032 /nfs/dbraw/zinc/23/80/32/218238032.db2.gz BLHJUEGOKIKWBM-OCCSQVGLSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644345 218238036 /nfs/dbraw/zinc/23/80/36/218238036.db2.gz BLHJUEGOKIKWBM-OCCSQVGLSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644345 218238038 /nfs/dbraw/zinc/23/80/38/218238038.db2.gz BLHJUEGOKIKWBM-OCCSQVGLSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644345 218238041 /nfs/dbraw/zinc/23/80/41/218238041.db2.gz BLHJUEGOKIKWBM-OCCSQVGLSA-N 2 2 328.403 3.211 40 0 EGABLP CC[NH+](CC)CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000096410066 218763139 /nfs/dbraw/zinc/76/31/39/218763139.db2.gz PMUDEYYXPVDYFQ-UHFFFAOYSA-N 2 2 340.471 3.066 40 0 EGABLP Cn1c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2sc1=O ZINC000195028917 153374339 /nfs/dbraw/zinc/37/43/39/153374339.db2.gz LKVUYRIKPMHINE-INIZCTEOSA-N 2 2 345.512 3.050 40 0 EGABLP Cn1c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2sc1=O ZINC000195028917 153374342 /nfs/dbraw/zinc/37/43/42/153374342.db2.gz LKVUYRIKPMHINE-INIZCTEOSA-N 2 2 345.512 3.050 40 0 EGABLP COC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000193967085 455789514 /nfs/dbraw/zinc/78/95/14/455789514.db2.gz YBYLWJVTANIRBG-QGZVFWFLSA-N 2 2 342.830 3.398 40 0 EGABLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000195557673 455984712 /nfs/dbraw/zinc/98/47/12/455984712.db2.gz MKPGCMMGZRJTOV-HNNXBMFYSA-N 2 2 336.439 3.494 40 0 EGABLP CC[N@@H+]1CCC[C@](O)(C[NH+](Cc2ccco2)Cc2cccs2)C1 ZINC000040714629 213372843 /nfs/dbraw/zinc/37/28/43/213372843.db2.gz IIDAWUUMUFXJQS-GOSISDBHSA-N 2 2 334.485 3.190 40 0 EGABLP CC[N@H+]1CCC[C@](O)(C[NH+](Cc2ccco2)Cc2cccs2)C1 ZINC000040714629 213372847 /nfs/dbraw/zinc/37/28/47/213372847.db2.gz IIDAWUUMUFXJQS-GOSISDBHSA-N 2 2 334.485 3.190 40 0 EGABLP CC[NH+]1CCC[C@](O)(C[N@H+](Cc2ccco2)Cc2cccs2)C1 ZINC000040714629 213372851 /nfs/dbraw/zinc/37/28/51/213372851.db2.gz IIDAWUUMUFXJQS-GOSISDBHSA-N 2 2 334.485 3.190 40 0 EGABLP CC[NH+]1CCC[C@](O)(C[N@@H+](Cc2ccco2)Cc2cccs2)C1 ZINC000040714629 213372855 /nfs/dbraw/zinc/37/28/55/213372855.db2.gz IIDAWUUMUFXJQS-GOSISDBHSA-N 2 2 334.485 3.190 40 0 EGABLP COc1ccc(OC(F)F)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093644346 218238705 /nfs/dbraw/zinc/23/87/05/218238705.db2.gz BLHJUEGOKIKWBM-JSGCOSHPSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093644346 218238707 /nfs/dbraw/zinc/23/87/07/218238707.db2.gz BLHJUEGOKIKWBM-JSGCOSHPSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000093644346 218238710 /nfs/dbraw/zinc/23/87/10/218238710.db2.gz BLHJUEGOKIKWBM-JSGCOSHPSA-N 2 2 328.403 3.211 40 0 EGABLP COc1ccc(OC(F)F)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000093644346 218238712 /nfs/dbraw/zinc/23/87/12/218238712.db2.gz BLHJUEGOKIKWBM-JSGCOSHPSA-N 2 2 328.403 3.211 40 0 EGABLP CCn1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)cn1 ZINC000043277720 454053163 /nfs/dbraw/zinc/05/31/63/454053163.db2.gz PDDJRGMYBOOHHR-UHFFFAOYSA-N 2 2 341.434 3.331 40 0 EGABLP CCn1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)cn1 ZINC000043277720 454053166 /nfs/dbraw/zinc/05/31/66/454053166.db2.gz PDDJRGMYBOOHHR-UHFFFAOYSA-N 2 2 341.434 3.331 40 0 EGABLP FC1(F)CC[N@H+](Cc2ccco2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051139 454272965 /nfs/dbraw/zinc/27/29/65/454272965.db2.gz SELGKGLSDVYEJI-KRWDZBQOSA-N 2 2 333.382 3.412 40 0 EGABLP FC1(F)CC[N@@H+](Cc2ccco2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051139 454272966 /nfs/dbraw/zinc/27/29/66/454272966.db2.gz SELGKGLSDVYEJI-KRWDZBQOSA-N 2 2 333.382 3.412 40 0 EGABLP Cc1nc(C[N@@H+]2CC[C@]3(C2)C[NH+](CC2CC2)CCC3(F)F)cs1 ZINC000096239795 454311971 /nfs/dbraw/zinc/31/19/71/454311971.db2.gz DKKBWEQEWQMDDD-MRXNPFEDSA-N 2 2 341.471 3.395 40 0 EGABLP Cc1nc(C[N@H+]2CC[C@]3(C2)C[NH+](CC2CC2)CCC3(F)F)cs1 ZINC000096239795 454311972 /nfs/dbraw/zinc/31/19/72/454311972.db2.gz DKKBWEQEWQMDDD-MRXNPFEDSA-N 2 2 341.471 3.395 40 0 EGABLP Cc1nc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)CCC3(F)F)cs1 ZINC000096239795 454311975 /nfs/dbraw/zinc/31/19/75/454311975.db2.gz DKKBWEQEWQMDDD-MRXNPFEDSA-N 2 2 341.471 3.395 40 0 EGABLP Cc1nc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)CCC3(F)F)cs1 ZINC000096239795 454311976 /nfs/dbraw/zinc/31/19/76/454311976.db2.gz DKKBWEQEWQMDDD-MRXNPFEDSA-N 2 2 341.471 3.395 40 0 EGABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257295543 455885111 /nfs/dbraw/zinc/88/51/11/455885111.db2.gz QYTUMFOKOXCJPO-CYBMUJFWSA-N 2 2 327.457 3.170 40 0 EGABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257295543 455885113 /nfs/dbraw/zinc/88/51/13/455885113.db2.gz QYTUMFOKOXCJPO-CYBMUJFWSA-N 2 2 327.457 3.170 40 0 EGABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)[nH+]1 ZINC000257338629 455895304 /nfs/dbraw/zinc/89/53/04/455895304.db2.gz YYGIHTFJUOCLIZ-CQSZACIVSA-N 2 2 329.473 3.126 40 0 EGABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)[nH+]1 ZINC000257338629 455895310 /nfs/dbraw/zinc/89/53/10/455895310.db2.gz YYGIHTFJUOCLIZ-CQSZACIVSA-N 2 2 329.473 3.126 40 0 EGABLP CCn1nc(C)c(-c2c[nH+]cn2Cc2ccccc2C[NH+](C)C)c1C ZINC000019719568 212056559 /nfs/dbraw/zinc/05/65/59/212056559.db2.gz DLMSYNWPKLAPFF-UHFFFAOYSA-N 2 2 337.471 3.493 40 0 EGABLP CCn1cncc1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC000012116597 211295961 /nfs/dbraw/zinc/29/59/61/211295961.db2.gz KNPBYXYUUBXCAW-SFHVURJKSA-N 2 2 327.476 3.348 40 0 EGABLP CCn1cncc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC000012116597 211295964 /nfs/dbraw/zinc/29/59/64/211295964.db2.gz KNPBYXYUUBXCAW-SFHVURJKSA-N 2 2 327.476 3.348 40 0 EGABLP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccccc1 ZINC000008373900 453197275 /nfs/dbraw/zinc/19/72/75/453197275.db2.gz WCVNCEWMHNMABO-UHFFFAOYSA-N 2 2 328.456 3.316 40 0 EGABLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350501 216162395 /nfs/dbraw/zinc/16/23/95/216162395.db2.gz XVUSYDGHMPNZFY-MRXNPFEDSA-N 2 2 337.402 3.181 40 0 EGABLP Fc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350501 216162397 /nfs/dbraw/zinc/16/23/97/216162397.db2.gz XVUSYDGHMPNZFY-MRXNPFEDSA-N 2 2 337.402 3.181 40 0 EGABLP C[NH+]1CC[C@@]2([C@@]34CC[N@@H+](C)[C@H]3Nc3ccccc34)c3ccccc3N[C@H]12 ZINC000033830152 453917174 /nfs/dbraw/zinc/91/71/74/453917174.db2.gz HOYXPMHLHJOGHD-GXRSIYKFSA-N 2 2 346.478 3.037 40 0 biogenic,in-vitro EGABLP C[NH+]1CC[C@@]2([C@@]34CC[N@H+](C)[C@H]3Nc3ccccc34)c3ccccc3N[C@H]12 ZINC000033830152 453917176 /nfs/dbraw/zinc/91/71/76/453917176.db2.gz HOYXPMHLHJOGHD-GXRSIYKFSA-N 2 2 346.478 3.037 40 0 biogenic,in-vitro EGABLP c1cnc(Oc2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)cn1 ZINC000093866228 454740847 /nfs/dbraw/zinc/74/08/47/454740847.db2.gz KFTXLPGCJOVMOO-LJQANCHMSA-N 2 2 348.406 3.317 40 0 EGABLP c1cnc(Oc2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)cn1 ZINC000093866228 454740851 /nfs/dbraw/zinc/74/08/51/454740851.db2.gz KFTXLPGCJOVMOO-LJQANCHMSA-N 2 2 348.406 3.317 40 0 EGABLP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000252498533 455815415 /nfs/dbraw/zinc/81/54/15/455815415.db2.gz RECHJDNQKBOUMM-OAHLLOKOSA-N 2 2 328.435 3.239 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccoc2)Cc2ccccc21 ZINC000306130486 547459917 /nfs/dbraw/zinc/45/99/17/547459917.db2.gz JHUASNUICFGCAD-LJQANCHMSA-N 2 2 337.423 3.270 40 0 EGABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccoc2)Cc2ccccc21 ZINC000306130486 547459920 /nfs/dbraw/zinc/45/99/20/547459920.db2.gz JHUASNUICFGCAD-LJQANCHMSA-N 2 2 337.423 3.270 40 0 EGABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270324 /nfs/dbraw/zinc/27/03/24/454270324.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 2 2 342.462 3.047 40 0 EGABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270327 /nfs/dbraw/zinc/27/03/27/454270327.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 2 2 342.462 3.047 40 0 EGABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270331 /nfs/dbraw/zinc/27/03/31/454270331.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 2 2 342.462 3.047 40 0 EGABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270334 /nfs/dbraw/zinc/27/03/34/454270334.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 2 2 342.462 3.047 40 0 EGABLP O=C(c1cc(F)ccc1F)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000096493045 454370107 /nfs/dbraw/zinc/37/01/07/454370107.db2.gz ZIFIYARAYGLWHB-UHFFFAOYSA-N 2 2 333.382 3.146 40 0 EGABLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3c[nH]nc3C)CC2)cc1F ZINC000097233890 454428844 /nfs/dbraw/zinc/42/88/44/454428844.db2.gz BVGWHBBIOHXZOC-ZDUSSCGKSA-N 2 2 346.450 3.181 40 0 EGABLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000191464205 455487520 /nfs/dbraw/zinc/48/75/20/455487520.db2.gz BYLVTZDZFORBDH-GFCCVEGCSA-N 2 2 338.249 3.230 40 0 EGABLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000191464205 455487523 /nfs/dbraw/zinc/48/75/23/455487523.db2.gz BYLVTZDZFORBDH-GFCCVEGCSA-N 2 2 338.249 3.230 40 0 EGABLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000221348522 456042623 /nfs/dbraw/zinc/04/26/23/456042623.db2.gz PAXSWWDWSTWKIY-MJVIPROJSA-N 2 2 344.425 3.338 40 0 EGABLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000221348522 456042641 /nfs/dbraw/zinc/04/26/41/456042641.db2.gz PAXSWWDWSTWKIY-MJVIPROJSA-N 2 2 344.425 3.338 40 0 EGABLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000221348415 456042681 /nfs/dbraw/zinc/04/26/81/456042681.db2.gz PAXSWWDWSTWKIY-COPLHBTASA-N 2 2 344.425 3.338 40 0 EGABLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000221348415 456042686 /nfs/dbraw/zinc/04/26/86/456042686.db2.gz PAXSWWDWSTWKIY-COPLHBTASA-N 2 2 344.425 3.338 40 0 EGABLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000266437476 248300255 /nfs/dbraw/zinc/30/02/55/248300255.db2.gz VMVUCMGSPQHEHB-CQSZACIVSA-N 2 2 349.438 3.378 40 0 EGABLP CCN(CC)C(=O)C[NH+]1CCC(c2[nH]c3cc(C)c(C)cc3[nH+]2)CC1 ZINC000012481470 211391751 /nfs/dbraw/zinc/39/17/51/211391751.db2.gz BHVXERHCEQVUGA-UHFFFAOYSA-N 2 2 342.487 3.228 40 0 EGABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053873 454274605 /nfs/dbraw/zinc/27/46/05/454274605.db2.gz LIKPMNUTMQLPQJ-KDURUIRLSA-N 2 2 340.442 3.398 40 0 EGABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053873 454274610 /nfs/dbraw/zinc/27/46/10/454274610.db2.gz LIKPMNUTMQLPQJ-KDURUIRLSA-N 2 2 340.442 3.398 40 0 EGABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053873 454274617 /nfs/dbraw/zinc/27/46/17/454274617.db2.gz LIKPMNUTMQLPQJ-KDURUIRLSA-N 2 2 340.442 3.398 40 0 EGABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053873 454274622 /nfs/dbraw/zinc/27/46/22/454274622.db2.gz LIKPMNUTMQLPQJ-KDURUIRLSA-N 2 2 340.442 3.398 40 0 EGABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)o1 ZINC000096062395 454278442 /nfs/dbraw/zinc/27/84/42/454278442.db2.gz FEMXWNQWDHYYPO-LJQANCHMSA-N 2 2 346.496 3.374 40 0 EGABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)o1 ZINC000096062395 454278444 /nfs/dbraw/zinc/27/84/44/454278444.db2.gz FEMXWNQWDHYYPO-LJQANCHMSA-N 2 2 346.496 3.374 40 0 EGABLP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)o1 ZINC000096062395 454278447 /nfs/dbraw/zinc/27/84/47/454278447.db2.gz FEMXWNQWDHYYPO-LJQANCHMSA-N 2 2 346.496 3.374 40 0 EGABLP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)o1 ZINC000096062395 454278453 /nfs/dbraw/zinc/27/84/53/454278453.db2.gz FEMXWNQWDHYYPO-LJQANCHMSA-N 2 2 346.496 3.374 40 0 EGABLP CCn1cc[nH+]c1CNc1cc(C[NH+]2CCSCC2)ccc1C ZINC000096482824 454364881 /nfs/dbraw/zinc/36/48/81/454364881.db2.gz RUBWFDKYDLSCBW-UHFFFAOYSA-N 2 2 330.501 3.372 40 0 EGABLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000097228465 454426996 /nfs/dbraw/zinc/42/69/96/454426996.db2.gz YYENXIUWGHCNDJ-QRWLVFNGSA-N 2 2 345.437 3.403 40 0 EGABLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000097228465 454427001 /nfs/dbraw/zinc/42/70/01/454427001.db2.gz YYENXIUWGHCNDJ-QRWLVFNGSA-N 2 2 345.437 3.403 40 0 EGABLP c1cn(-c2ccc(CNc3ccccc3C[NH+]3CCCC3)cn2)c[nH+]1 ZINC000097229065 454427053 /nfs/dbraw/zinc/42/70/53/454427053.db2.gz QPBPSVTXODIRFF-UHFFFAOYSA-N 2 2 333.439 3.475 40 0 EGABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000257285648 455882770 /nfs/dbraw/zinc/88/27/70/455882770.db2.gz PIDIJRWZENKFGH-HXUWFJFHSA-N 2 2 347.466 3.424 40 0 EGABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000257285648 455882775 /nfs/dbraw/zinc/88/27/75/455882775.db2.gz PIDIJRWZENKFGH-HXUWFJFHSA-N 2 2 347.466 3.424 40 0 EGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2[nH]cnc2C)s1 ZINC000036740418 213115209 /nfs/dbraw/zinc/11/52/09/213115209.db2.gz NOBQVZPQSXISPO-UHFFFAOYSA-N 2 2 329.473 3.377 40 0 EGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2[nH]cnc2C)s1 ZINC000036740418 213115211 /nfs/dbraw/zinc/11/52/11/213115211.db2.gz NOBQVZPQSXISPO-UHFFFAOYSA-N 2 2 329.473 3.377 40 0 EGABLP c1cn(-c2cncc([C@H]3CCC[N@H+]3CCCc3ccccc3)n2)c[nH+]1 ZINC000072378674 216180434 /nfs/dbraw/zinc/18/04/34/216180434.db2.gz GKWHWPSHQQWGHL-LJQANCHMSA-N 2 2 333.439 3.432 40 0 EGABLP c1cn(-c2cncc([C@H]3CCC[N@@H+]3CCCc3ccccc3)n2)c[nH+]1 ZINC000072378674 216180436 /nfs/dbraw/zinc/18/04/36/216180436.db2.gz GKWHWPSHQQWGHL-LJQANCHMSA-N 2 2 333.439 3.432 40 0 EGABLP Cc1nc([C@@]2(C)CCC[N@@H+](C3CC[NH+](C)CC3)C2)c2sccn12 ZINC000257243759 244251400 /nfs/dbraw/zinc/25/14/00/244251400.db2.gz IILHUFJRAIOJNO-SFHVURJKSA-N 2 2 332.517 3.152 40 0 EGABLP Cc1nc([C@@]2(C)CCC[N@H+](C3CC[NH+](C)CC3)C2)c2sccn12 ZINC000257243759 244251403 /nfs/dbraw/zinc/25/14/03/244251403.db2.gz IILHUFJRAIOJNO-SFHVURJKSA-N 2 2 332.517 3.152 40 0 EGABLP CCn1c2cc(Br)ccc2[nH+]c1NCc1c[nH+]cn1C ZINC000097379561 219020141 /nfs/dbraw/zinc/02/01/41/219020141.db2.gz PYBNFGNHTALCJT-UHFFFAOYSA-N 2 2 334.221 3.164 40 0 EGABLP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccccc1F ZINC000008373904 453198753 /nfs/dbraw/zinc/19/87/53/453198753.db2.gz LCHLRZBBVYHCII-UHFFFAOYSA-N 2 2 346.446 3.455 40 0 EGABLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)n1-c1ccccc1 ZINC000084050807 453966191 /nfs/dbraw/zinc/96/61/91/453966191.db2.gz ZQOOKLOZRMZQHH-INIZCTEOSA-N 2 2 346.434 3.396 40 0 EGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)[N@@H+]1CC1CC1 ZINC000096206701 454303771 /nfs/dbraw/zinc/30/37/71/454303771.db2.gz JPQYRLOHKNPTIF-FQEVSTJZSA-N 2 2 343.515 3.327 40 0 EGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)[N@H+]1CC1CC1 ZINC000096206701 454303773 /nfs/dbraw/zinc/30/37/73/454303773.db2.gz JPQYRLOHKNPTIF-FQEVSTJZSA-N 2 2 343.515 3.327 40 0 EGABLP FC1(F)CC[N@H+](Cc2ccncc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096239614 454310797 /nfs/dbraw/zinc/31/07/97/454310797.db2.gz UNMFVVJFTBGMOU-SFHVURJKSA-N 2 2 344.409 3.214 40 0 EGABLP FC1(F)CC[N@@H+](Cc2ccncc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096239614 454310799 /nfs/dbraw/zinc/31/07/99/454310799.db2.gz UNMFVVJFTBGMOU-SFHVURJKSA-N 2 2 344.409 3.214 40 0 EGABLP Fc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)c(F)c1 ZINC000078394255 217046833 /nfs/dbraw/zinc/04/68/33/217046833.db2.gz CXDGVZPJCJTAKA-UHFFFAOYSA-N 2 2 331.410 3.157 40 0 EGABLP c1ccc(N2CCC([NH2+]Cc3ccnc(OCC4CC4)c3)CC2)[nH+]c1 ZINC000095422230 218364436 /nfs/dbraw/zinc/36/44/36/218364436.db2.gz SNDMPZVMIZYJDW-UHFFFAOYSA-N 2 2 338.455 3.024 40 0 EGABLP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900270 455251385 /nfs/dbraw/zinc/25/13/85/455251385.db2.gz VTOCZENKZMWWPM-IFXJQAMLSA-N 2 2 325.387 3.396 40 0 EGABLP Cc1nc(C[N@@H+]2CC[C@@]3(C2)C[NH+](CC2CC2)CCC3(F)F)cs1 ZINC000096239794 454311445 /nfs/dbraw/zinc/31/14/45/454311445.db2.gz DKKBWEQEWQMDDD-INIZCTEOSA-N 2 2 341.471 3.395 40 0 EGABLP Cc1nc(C[N@H+]2CC[C@@]3(C2)C[NH+](CC2CC2)CCC3(F)F)cs1 ZINC000096239794 454311450 /nfs/dbraw/zinc/31/14/50/454311450.db2.gz DKKBWEQEWQMDDD-INIZCTEOSA-N 2 2 341.471 3.395 40 0 EGABLP Cc1nc(C[NH+]2CC[C@@]3(C2)C[N@H+](CC2CC2)CCC3(F)F)cs1 ZINC000096239794 454311454 /nfs/dbraw/zinc/31/14/54/454311454.db2.gz DKKBWEQEWQMDDD-INIZCTEOSA-N 2 2 341.471 3.395 40 0 EGABLP Cc1nc(C[NH+]2CC[C@@]3(C2)C[N@@H+](CC2CC2)CCC3(F)F)cs1 ZINC000096239794 454311458 /nfs/dbraw/zinc/31/14/58/454311458.db2.gz DKKBWEQEWQMDDD-INIZCTEOSA-N 2 2 341.471 3.395 40 0 EGABLP FC1(F)CC[N@H+](Cc2ccncc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096239615 454312095 /nfs/dbraw/zinc/31/20/95/454312095.db2.gz UNMFVVJFTBGMOU-GOSISDBHSA-N 2 2 344.409 3.214 40 0 EGABLP FC1(F)CC[N@@H+](Cc2ccncc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096239615 454312097 /nfs/dbraw/zinc/31/20/97/454312097.db2.gz UNMFVVJFTBGMOU-GOSISDBHSA-N 2 2 344.409 3.214 40 0 EGABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[N@@H+](Cc1ccccn1)C2 ZINC000585095520 459822594 /nfs/dbraw/zinc/82/25/94/459822594.db2.gz VCCAYZFOWPTPGM-SFHVURJKSA-N 2 2 347.466 3.412 40 0 EGABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[N@H+](Cc1ccccn1)C2 ZINC000585095520 459822596 /nfs/dbraw/zinc/82/25/96/459822596.db2.gz VCCAYZFOWPTPGM-SFHVURJKSA-N 2 2 347.466 3.412 40 0 EGABLP Cc1c[nH+]ccc1CC[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000585141709 459830069 /nfs/dbraw/zinc/83/00/69/459830069.db2.gz ZDAFNPXQTXBIOD-UHFFFAOYSA-N 2 2 333.439 3.180 40 0 EGABLP Nc1cc(CC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)cc[nH+]1 ZINC000257217163 244170111 /nfs/dbraw/zinc/17/01/11/244170111.db2.gz CXUQOBDVIYANBI-IBGZPJMESA-N 2 2 348.450 3.046 40 0 EGABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)cc[nH+]1 ZINC000257217163 244170118 /nfs/dbraw/zinc/17/01/18/244170118.db2.gz CXUQOBDVIYANBI-IBGZPJMESA-N 2 2 348.450 3.046 40 0 EGABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257234509 244223237 /nfs/dbraw/zinc/22/32/37/244223237.db2.gz GTVFQBQCPVFPHP-GOSISDBHSA-N 2 2 333.439 3.175 40 0 EGABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257234509 244223243 /nfs/dbraw/zinc/22/32/43/244223243.db2.gz GTVFQBQCPVFPHP-GOSISDBHSA-N 2 2 333.439 3.175 40 0 EGABLP Clc1ccc(C2(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)CC2)cc1 ZINC000019332772 453656730 /nfs/dbraw/zinc/65/67/30/453656730.db2.gz PFUVHAKIZNGKJY-KRWDZBQOSA-N 2 2 348.918 3.416 40 0 EGABLP Clc1ccc(C2(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)CC2)cc1 ZINC000019332772 453656731 /nfs/dbraw/zinc/65/67/31/453656731.db2.gz PFUVHAKIZNGKJY-KRWDZBQOSA-N 2 2 348.918 3.416 40 0 EGABLP c1cc2n(n1)C[C@H](CNc1cccc[nH+]1)C[N@@H+](Cc1ccccc1)C2 ZINC000248133475 455685780 /nfs/dbraw/zinc/68/57/80/455685780.db2.gz YGJIZHVVHQRZGF-GOSISDBHSA-N 2 2 333.439 3.022 40 0 EGABLP c1cc2n(n1)C[C@H](CNc1cccc[nH+]1)C[N@H+](Cc1ccccc1)C2 ZINC000248133475 455685784 /nfs/dbraw/zinc/68/57/84/455685784.db2.gz YGJIZHVVHQRZGF-GOSISDBHSA-N 2 2 333.439 3.022 40 0 EGABLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc3ccccc3o2)nc[nH+]1 ZINC000109070006 1293087364 /nfs/dbraw/zinc/08/73/64/1293087364.db2.gz GOZPNTQJXAEKTE-OAHLLOKOSA-N 2 2 337.427 3.023 40 0 EGABLP c1cn(-c2cncc(C3CC[NH+](CCCc4ccccc4)CC3)n2)c[nH+]1 ZINC000072355478 216163902 /nfs/dbraw/zinc/16/39/02/216163902.db2.gz LTURZSSNMCXIND-UHFFFAOYSA-N 2 2 347.466 3.475 40 0 EGABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000072355698 216164058 /nfs/dbraw/zinc/16/40/58/216164058.db2.gz FUZNBLHMDWOMND-INIZCTEOSA-N 2 2 334.427 3.270 40 0 EGABLP Clc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019349346 212019559 /nfs/dbraw/zinc/01/95/59/212019559.db2.gz QPJMWFNXOIBNRF-KRWDZBQOSA-N 2 2 328.847 3.113 40 0 EGABLP Clc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019349346 212019563 /nfs/dbraw/zinc/01/95/63/212019563.db2.gz QPJMWFNXOIBNRF-KRWDZBQOSA-N 2 2 328.847 3.113 40 0 EGABLP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000158005717 455258112 /nfs/dbraw/zinc/25/81/12/455258112.db2.gz VBAZAVVKRLDWON-KBXCAEBGSA-N 2 2 344.528 3.198 40 0 EGABLP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000158005717 455258118 /nfs/dbraw/zinc/25/81/18/455258118.db2.gz VBAZAVVKRLDWON-KBXCAEBGSA-N 2 2 344.528 3.198 40 0 EGABLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N(C)c1ccccc1 ZINC000096476621 454362623 /nfs/dbraw/zinc/36/26/23/454362623.db2.gz QJZYIABUAAAHGG-GOSISDBHSA-N 2 2 338.499 3.161 40 0 EGABLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000097228466 454427076 /nfs/dbraw/zinc/42/70/76/454427076.db2.gz YYENXIUWGHCNDJ-YWZLYKJASA-N 2 2 345.437 3.403 40 0 EGABLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000097228466 454427078 /nfs/dbraw/zinc/42/70/78/454427078.db2.gz YYENXIUWGHCNDJ-YWZLYKJASA-N 2 2 345.437 3.403 40 0 EGABLP c1cc2n(n1)C[C@H](CNc1cccc[nH+]1)C[N@@H+](Cc1ccsc1)C2 ZINC000247926755 455656455 /nfs/dbraw/zinc/65/64/55/455656455.db2.gz BAMCECNJBXIIJO-MRXNPFEDSA-N 2 2 339.468 3.084 40 0 EGABLP c1cc2n(n1)C[C@H](CNc1cccc[nH+]1)C[N@H+](Cc1ccsc1)C2 ZINC000247926755 455656458 /nfs/dbraw/zinc/65/64/58/455656458.db2.gz BAMCECNJBXIIJO-MRXNPFEDSA-N 2 2 339.468 3.084 40 0 EGABLP Nc1cc(CC[C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc[nH+]1 ZINC000257277485 244397923 /nfs/dbraw/zinc/39/79/23/244397923.db2.gz NYDJPWJYFLNRAK-SFHVURJKSA-N 2 2 348.450 3.046 40 0 EGABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)cc[nH+]1 ZINC000257277485 244397930 /nfs/dbraw/zinc/39/79/30/244397930.db2.gz NYDJPWJYFLNRAK-SFHVURJKSA-N 2 2 348.450 3.046 40 0 EGABLP CCOc1cc2c(cc1OCC)C[N@H+](CC[C@@H]1CCCC[NH2+]1)CC2 ZINC000095097530 218280910 /nfs/dbraw/zinc/28/09/10/218280910.db2.gz CQMUZOFNVIFTHH-SFHVURJKSA-N 2 2 332.488 3.374 40 0 EGABLP CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC2 ZINC000095097530 218280913 /nfs/dbraw/zinc/28/09/13/218280913.db2.gz CQMUZOFNVIFTHH-SFHVURJKSA-N 2 2 332.488 3.374 40 0 EGABLP C[NH+]1CC[C@]23c4ccccc4N[C@H]1[C@]21CC[N@@H+](C)[C@H]3Nc2ccccc21 ZINC000053277633 214173405 /nfs/dbraw/zinc/17/34/05/214173405.db2.gz XSYCDVWYEVUDKQ-GXRSIYKFSA-N 2 2 346.478 3.037 40 0 biogenic,in-vitro EGABLP C[NH+]1CC[C@]23c4ccccc4N[C@H]1[C@]21CC[N@H+](C)[C@H]3Nc2ccccc21 ZINC000053277633 214173409 /nfs/dbraw/zinc/17/34/09/214173409.db2.gz XSYCDVWYEVUDKQ-GXRSIYKFSA-N 2 2 346.478 3.037 40 0 biogenic,in-vitro EGABLP Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000079361768 217216470 /nfs/dbraw/zinc/21/64/70/217216470.db2.gz HONKKXNBSCADNX-INIZCTEOSA-N 2 2 339.439 3.206 40 0 EGABLP Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000079361768 217216472 /nfs/dbraw/zinc/21/64/72/217216472.db2.gz HONKKXNBSCADNX-INIZCTEOSA-N 2 2 339.439 3.206 40 0 EGABLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)o1 ZINC000096046948 454269253 /nfs/dbraw/zinc/26/92/53/454269253.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)o1 ZINC000096046948 454269258 /nfs/dbraw/zinc/26/92/58/454269258.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)o1 ZINC000096046948 454269263 /nfs/dbraw/zinc/26/92/63/454269263.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 2 2 325.456 3.471 40 0 EGABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)o1 ZINC000096046948 454269268 /nfs/dbraw/zinc/26/92/68/454269268.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 2 2 325.456 3.471 40 0 EGABLP FC1(F)CC[N@H+](Cc2cccnc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051157 454272931 /nfs/dbraw/zinc/27/29/31/454272931.db2.gz FLJQMBPRQVQEOG-SFHVURJKSA-N 2 2 344.409 3.214 40 0 EGABLP FC1(F)CC[N@@H+](Cc2cccnc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051157 454272932 /nfs/dbraw/zinc/27/29/32/454272932.db2.gz FLJQMBPRQVQEOG-SFHVURJKSA-N 2 2 344.409 3.214 40 0 EGABLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccsc2)C1 ZINC000253396881 455839118 /nfs/dbraw/zinc/83/91/18/455839118.db2.gz RKYLEWBNGAJUQG-ZBFHGGJFSA-N 2 2 333.457 3.058 40 0 EGABLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccsc2)C1 ZINC000253396881 455839123 /nfs/dbraw/zinc/83/91/23/455839123.db2.gz RKYLEWBNGAJUQG-ZBFHGGJFSA-N 2 2 333.457 3.058 40 0 EGABLP CC(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000035425755 213027142 /nfs/dbraw/zinc/02/71/42/213027142.db2.gz IUCJFIOKTDIULZ-HNNXBMFYSA-N 2 2 338.415 3.110 40 0 biogenic,in-vitro EGABLP CC(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000035425755 213027144 /nfs/dbraw/zinc/02/71/44/213027144.db2.gz IUCJFIOKTDIULZ-HNNXBMFYSA-N 2 2 338.415 3.110 40 0 biogenic,in-vitro EGABLP c1ccc(N2CC[NH+](C3CC[NH+]([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000004109118 452793600 /nfs/dbraw/zinc/79/36/00/452793600.db2.gz NTMVEFPSIQONBD-NNMXDRDESA-N 2 2 339.527 3.462 40 0 EGABLP C[C@H]1Cc2cc(C[N@H+](CCC[NH+](C)C)Cc3ccccn3)ccc2O1 ZINC000057797233 454147082 /nfs/dbraw/zinc/14/70/82/454147082.db2.gz POZBVTMXHVSVJV-KRWDZBQOSA-N 2 2 339.483 3.359 40 0 EGABLP C[C@H]1Cc2cc(C[N@@H+](CCC[NH+](C)C)Cc3ccccn3)ccc2O1 ZINC000057797233 454147084 /nfs/dbraw/zinc/14/70/84/454147084.db2.gz POZBVTMXHVSVJV-KRWDZBQOSA-N 2 2 339.483 3.359 40 0 EGABLP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053875 454273978 /nfs/dbraw/zinc/27/39/78/454273978.db2.gz LIKPMNUTMQLPQJ-RTBURBONSA-N 2 2 340.442 3.398 40 0 EGABLP CC(C)[N@H+](C)[C@@H]1CC[NH+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096061678 454276461 /nfs/dbraw/zinc/27/64/61/454276461.db2.gz DZQVOBFJTNHSIP-RTWAWAEBSA-N 2 2 330.516 3.439 40 0 EGABLP CC(C)[N@@H+](C)[C@@H]1CC[NH+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096061678 454276467 /nfs/dbraw/zinc/27/64/67/454276467.db2.gz DZQVOBFJTNHSIP-RTWAWAEBSA-N 2 2 330.516 3.439 40 0 EGABLP CC(C)[NH+](C)[C@@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096061678 454276471 /nfs/dbraw/zinc/27/64/71/454276471.db2.gz DZQVOBFJTNHSIP-RTWAWAEBSA-N 2 2 330.516 3.439 40 0 EGABLP CC(C)[NH+](C)[C@@H]1CC[N@@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096061678 454276476 /nfs/dbraw/zinc/27/64/76/454276476.db2.gz DZQVOBFJTNHSIP-RTWAWAEBSA-N 2 2 330.516 3.439 40 0 EGABLP CC[N@@H+](Cc1c(C)noc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000096441736 454351118 /nfs/dbraw/zinc/35/11/18/454351118.db2.gz BHGHJWTZLAFBOL-UHFFFAOYSA-N 2 2 328.460 3.425 40 0 EGABLP CC[N@H+](Cc1c(C)noc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000096441736 454351122 /nfs/dbraw/zinc/35/11/22/454351122.db2.gz BHGHJWTZLAFBOL-UHFFFAOYSA-N 2 2 328.460 3.425 40 0 EGABLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000069171042 215367322 /nfs/dbraw/zinc/36/73/22/215367322.db2.gz CTPSBSHRSNPJOZ-HXUWFJFHSA-N 2 2 345.437 3.043 40 0 EGABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cnc(C)nc2)n1 ZINC000072366765 216172038 /nfs/dbraw/zinc/17/20/38/216172038.db2.gz RUUVNRMNGONUBH-SFHVURJKSA-N 2 2 334.427 3.011 40 0 EGABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cnc(C)nc2)n1 ZINC000072366765 216172040 /nfs/dbraw/zinc/17/20/40/216172040.db2.gz RUUVNRMNGONUBH-SFHVURJKSA-N 2 2 334.427 3.011 40 0 EGABLP COCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCCC[C@H]32)ccc1OC(C)C ZINC000257254017 244275944 /nfs/dbraw/zinc/27/59/44/244275944.db2.gz KBGCTSAJVLUCIF-RTBURBONSA-N 2 2 332.488 3.337 40 0 EGABLP COCc1cc(C[N@H+]2CC[C@H]3[NH2+]CCCC[C@H]32)ccc1OC(C)C ZINC000257254017 244275950 /nfs/dbraw/zinc/27/59/50/244275950.db2.gz KBGCTSAJVLUCIF-RTBURBONSA-N 2 2 332.488 3.337 40 0 EGABLP CNc1cc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2C(C)C)cc[nH+]1 ZINC000257329686 244543801 /nfs/dbraw/zinc/54/38/01/244543801.db2.gz XLAXVIUPODAXLV-INIZCTEOSA-N 2 2 341.459 3.197 40 0 EGABLP Cn1c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2sc1=O ZINC000195028931 153373334 /nfs/dbraw/zinc/37/33/34/153373334.db2.gz LKVUYRIKPMHINE-MRXNPFEDSA-N 2 2 345.512 3.050 40 0 EGABLP Cn1c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2sc1=O ZINC000195028931 153373344 /nfs/dbraw/zinc/37/33/44/153373344.db2.gz LKVUYRIKPMHINE-MRXNPFEDSA-N 2 2 345.512 3.050 40 0 EGABLP c1csc(C[N@@H+]2CC[C@]3(C2)COCC[NH+](Cc2ccoc2)C3)c1 ZINC000096087616 454280190 /nfs/dbraw/zinc/28/01/90/454280190.db2.gz QKQRLVGGYGBEPI-GOSISDBHSA-N 2 2 332.469 3.066 40 0 EGABLP c1csc(C[N@H+]2CC[C@]3(C2)COCC[NH+](Cc2ccoc2)C3)c1 ZINC000096087616 454280193 /nfs/dbraw/zinc/28/01/93/454280193.db2.gz QKQRLVGGYGBEPI-GOSISDBHSA-N 2 2 332.469 3.066 40 0 EGABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@H+](Cc2ccoc2)C3)c1 ZINC000096087616 454280196 /nfs/dbraw/zinc/28/01/96/454280196.db2.gz QKQRLVGGYGBEPI-GOSISDBHSA-N 2 2 332.469 3.066 40 0 EGABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@@H+](Cc2ccoc2)C3)c1 ZINC000096087616 454280199 /nfs/dbraw/zinc/28/01/99/454280199.db2.gz QKQRLVGGYGBEPI-GOSISDBHSA-N 2 2 332.469 3.066 40 0 EGABLP CCc1cnc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000096479066 454364007 /nfs/dbraw/zinc/36/40/07/454364007.db2.gz XCQSYRQEIXMOCO-CQSZACIVSA-N 2 2 330.501 3.416 40 0 EGABLP CCc1nnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000195577383 455987422 /nfs/dbraw/zinc/98/74/22/455987422.db2.gz DSVBGXQXCLBIEQ-GJZGRUSLSA-N 2 2 344.528 3.347 40 0 EGABLP CCn1c[nH+]cc1CN(Cc1cccs1)C[C@H]1CCC[N@@H+]1CC ZINC000023247885 212363671 /nfs/dbraw/zinc/36/36/71/212363671.db2.gz YPQOSTXSFYRXDM-MRXNPFEDSA-N 2 2 332.517 3.451 40 0 EGABLP CCn1c[nH+]cc1CN(Cc1cccs1)C[C@H]1CCC[N@H+]1CC ZINC000023247885 212363673 /nfs/dbraw/zinc/36/36/73/212363673.db2.gz YPQOSTXSFYRXDM-MRXNPFEDSA-N 2 2 332.517 3.451 40 0 EGABLP CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257217382 244172097 /nfs/dbraw/zinc/17/20/97/244172097.db2.gz CYSCRFIBZAFDGF-IBGZPJMESA-N 2 2 340.471 3.274 40 0 EGABLP CCOc1ccc(C[N@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257217382 244172106 /nfs/dbraw/zinc/17/21/06/244172106.db2.gz CYSCRFIBZAFDGF-IBGZPJMESA-N 2 2 340.471 3.274 40 0 EGABLP Cc1cc2ccccc2[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000301694841 308711292 /nfs/dbraw/zinc/71/12/92/308711292.db2.gz MFVXPMHWXPUWDV-UHFFFAOYSA-N 2 2 347.466 3.302 40 0 EGABLP CCOCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCCCC[C@H]32)ccc1OC ZINC000019712494 453658659 /nfs/dbraw/zinc/65/86/59/453658659.db2.gz QCRXBKYCUQLUAA-RBUKOAKNSA-N 2 2 332.488 3.338 40 0 EGABLP CCOCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCCCC[C@H]32)ccc1OC ZINC000019712494 453658666 /nfs/dbraw/zinc/65/86/66/453658666.db2.gz QCRXBKYCUQLUAA-RBUKOAKNSA-N 2 2 332.488 3.338 40 0 EGABLP CCc1ncc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)cn1 ZINC000043277766 454052951 /nfs/dbraw/zinc/05/29/51/454052951.db2.gz JZPDSDGBNBARGO-UHFFFAOYSA-N 2 2 339.443 3.229 40 0 EGABLP CCc1ncc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)cn1 ZINC000043277766 454052954 /nfs/dbraw/zinc/05/29/54/454052954.db2.gz JZPDSDGBNBARGO-UHFFFAOYSA-N 2 2 339.443 3.229 40 0 EGABLP CC[NH+](CC)CC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2c[nH+]cn21 ZINC000248257465 455701321 /nfs/dbraw/zinc/70/13/21/455701321.db2.gz OZCAOUUNIOHTFT-GOSISDBHSA-N 2 2 344.503 3.389 40 0 EGABLP CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257301984 455887057 /nfs/dbraw/zinc/88/70/57/455887057.db2.gz SAWYUFBTEUGMNQ-SFHVURJKSA-N 2 2 340.471 3.274 40 0 EGABLP CCOc1ccccc1C[N@H+]1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257301984 455887062 /nfs/dbraw/zinc/88/70/62/455887062.db2.gz SAWYUFBTEUGMNQ-SFHVURJKSA-N 2 2 340.471 3.274 40 0 EGABLP C[NH+](C)CCc1ccc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)cc1 ZINC000629733000 460895210 /nfs/dbraw/zinc/89/52/10/460895210.db2.gz XRQRWMFYASRKRM-IBGZPJMESA-N 2 2 325.456 3.444 40 0 EGABLP c1cnc(Oc2ccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)cn1 ZINC000093866227 546688437 /nfs/dbraw/zinc/68/84/37/546688437.db2.gz KFTXLPGCJOVMOO-IBGZPJMESA-N 2 2 348.406 3.317 40 0 EGABLP c1cnc(Oc2ccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)cn1 ZINC000093866227 546688441 /nfs/dbraw/zinc/68/84/41/546688441.db2.gz KFTXLPGCJOVMOO-IBGZPJMESA-N 2 2 348.406 3.317 40 0 EGABLP CC[NH+](CC)CC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2c[nH+]cn21 ZINC000248257467 243553919 /nfs/dbraw/zinc/55/39/19/243553919.db2.gz OZCAOUUNIOHTFT-SFHVURJKSA-N 2 2 344.503 3.389 40 0 EGABLP Cc1nc([C@]2(C)CCC[N@H+](Cc3cscn3)C2)cc2c[nH+]cn21 ZINC000257222356 244188941 /nfs/dbraw/zinc/18/89/41/244188941.db2.gz DSYXUHKAVUQWNF-QGZVFWFLSA-N 2 2 327.457 3.048 40 0 EGABLP Cc1nc([C@]2(C)CCC[N@@H+](Cc3cscn3)C2)cc2c[nH+]cn21 ZINC000257222356 244188945 /nfs/dbraw/zinc/18/89/45/244188945.db2.gz DSYXUHKAVUQWNF-QGZVFWFLSA-N 2 2 327.457 3.048 40 0 EGABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccc(C)s2)C1 ZINC000096059197 284698766 /nfs/dbraw/zinc/69/87/66/284698766.db2.gz WTFJWYBXACYBKS-INIZCTEOSA-N 2 2 332.517 3.227 40 0 EGABLP C[NH+](C)CCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221342 211324017 /nfs/dbraw/zinc/32/40/17/211324017.db2.gz PPMZGULQQUAIFO-UHFFFAOYSA-N 2 2 342.834 3.161 40 0 EGABLP c1coc(C[NH+]2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096062388 454277787 /nfs/dbraw/zinc/27/77/87/454277787.db2.gz JSGOUAJZUALSDE-SFHVURJKSA-N 2 2 332.469 3.066 40 0 EGABLP c1coc(C[NH+]2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096062388 454277795 /nfs/dbraw/zinc/27/77/95/454277795.db2.gz JSGOUAJZUALSDE-SFHVURJKSA-N 2 2 332.469 3.066 40 0 EGABLP c1coc(C[N@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)c1 ZINC000096062388 454277800 /nfs/dbraw/zinc/27/78/00/454277800.db2.gz JSGOUAJZUALSDE-SFHVURJKSA-N 2 2 332.469 3.066 40 0 EGABLP c1coc(C[N@@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)c1 ZINC000096062388 454277803 /nfs/dbraw/zinc/27/78/03/454277803.db2.gz JSGOUAJZUALSDE-SFHVURJKSA-N 2 2 332.469 3.066 40 0 EGABLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2F)CC3)n1 ZINC000096227943 454308537 /nfs/dbraw/zinc/30/85/37/454308537.db2.gz LPCOROOEINNEMD-UHFFFAOYSA-N 2 2 342.462 3.190 40 0 EGABLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2F)CC3)n1 ZINC000096227943 454308541 /nfs/dbraw/zinc/30/85/41/454308541.db2.gz LPCOROOEINNEMD-UHFFFAOYSA-N 2 2 342.462 3.190 40 0 EGABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccccn3)CC1)[N@@H+](C)CC2 ZINC000096242672 454312033 /nfs/dbraw/zinc/31/20/33/454312033.db2.gz SJAHYXYWZGHUBS-UHFFFAOYSA-N 2 2 337.467 3.069 40 0 EGABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccccn3)CC1)[N@H+](C)CC2 ZINC000096242672 454312035 /nfs/dbraw/zinc/31/20/35/454312035.db2.gz SJAHYXYWZGHUBS-UHFFFAOYSA-N 2 2 337.467 3.069 40 0 EGABLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000253396857 455839500 /nfs/dbraw/zinc/83/95/00/455839500.db2.gz RKYLEWBNGAJUQG-GOEBONIOSA-N 2 2 333.457 3.058 40 0 EGABLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000253396857 455839502 /nfs/dbraw/zinc/83/95/02/455839502.db2.gz RKYLEWBNGAJUQG-GOEBONIOSA-N 2 2 333.457 3.058 40 0 EGABLP Cc1ncsc1C[N@@H+]1CCC2(CC(Nc3cc(C)[nH+]cn3)C2)C1 ZINC000257340875 455895779 /nfs/dbraw/zinc/89/57/79/455895779.db2.gz ZHWZTMOQMRLFHH-UHFFFAOYSA-N 2 2 329.473 3.017 40 0 EGABLP Cc1ncsc1C[N@H+]1CCC2(CC(Nc3cc(C)[nH+]cn3)C2)C1 ZINC000257340875 455895784 /nfs/dbraw/zinc/89/57/84/455895784.db2.gz ZHWZTMOQMRLFHH-UHFFFAOYSA-N 2 2 329.473 3.017 40 0 EGABLP c1cn(-c2nccnc2C2CC[NH+](CCCc3ccccc3)CC2)c[nH+]1 ZINC000072350644 216162659 /nfs/dbraw/zinc/16/26/59/216162659.db2.gz SYISRUYIYDHNMK-UHFFFAOYSA-N 2 2 347.466 3.475 40 0 EGABLP CCCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cn1 ZINC000072366773 216171045 /nfs/dbraw/zinc/17/10/45/216171045.db2.gz QNTAMOGMCLZEFS-SFHVURJKSA-N 2 2 336.443 3.211 40 0 EGABLP CCCn1cc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cn1 ZINC000072366773 216171049 /nfs/dbraw/zinc/17/10/49/216171049.db2.gz QNTAMOGMCLZEFS-SFHVURJKSA-N 2 2 336.443 3.211 40 0 EGABLP C[C@H](C[NH+]1CCOCC1)n1c[nH+]cc1-c1ccc2c(c1)CC(C)(C)O2 ZINC000019719673 212057386 /nfs/dbraw/zinc/05/73/86/212057386.db2.gz QBRWMKWQCYOLCC-OAHLLOKOSA-N 2 2 341.455 3.157 40 0 EGABLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096075287 454279618 /nfs/dbraw/zinc/27/96/18/454279618.db2.gz LOROBPXIIYUAMU-UHFFFAOYSA-N 2 2 340.471 3.317 40 0 EGABLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096075287 454279625 /nfs/dbraw/zinc/27/96/25/454279625.db2.gz LOROBPXIIYUAMU-UHFFFAOYSA-N 2 2 340.471 3.317 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134841 456567968 /nfs/dbraw/zinc/56/79/68/456567968.db2.gz NZLKKQREBNZUGH-MOPGFXCFSA-N 2 2 330.435 3.249 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@@H]1C[N@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134841 456567971 /nfs/dbraw/zinc/56/79/71/456567971.db2.gz NZLKKQREBNZUGH-MOPGFXCFSA-N 2 2 330.435 3.249 40 0 EGABLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000069171400 215367716 /nfs/dbraw/zinc/36/77/16/215367716.db2.gz DYYJICILIIQTRR-FQEVSTJZSA-N 2 2 345.437 3.043 40 0 EGABLP CNc1cc([C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)cc[nH+]1 ZINC000257271719 244378592 /nfs/dbraw/zinc/37/85/92/244378592.db2.gz MZMINOBYWSEOOP-SFHVURJKSA-N 2 2 338.455 3.162 40 0 EGABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc[nH+]1 ZINC000257277484 244397030 /nfs/dbraw/zinc/39/70/30/244397030.db2.gz NYDJPWJYFLNRAK-GOSISDBHSA-N 2 2 348.450 3.046 40 0 EGABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)cc[nH+]1 ZINC000257277484 244397038 /nfs/dbraw/zinc/39/70/38/244397038.db2.gz NYDJPWJYFLNRAK-GOSISDBHSA-N 2 2 348.450 3.046 40 0 EGABLP C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478793 218855022 /nfs/dbraw/zinc/85/50/22/218855022.db2.gz YYWNTCGKVWMCKR-HIFRSBDPSA-N 2 2 338.377 3.160 40 0 EGABLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc(F)c2)CC3)n1 ZINC000096227944 454308828 /nfs/dbraw/zinc/30/88/28/454308828.db2.gz GRBANQWGMMZDNA-UHFFFAOYSA-N 2 2 342.462 3.190 40 0 EGABLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cccc(F)c2)CC3)n1 ZINC000096227944 454308832 /nfs/dbraw/zinc/30/88/32/454308832.db2.gz GRBANQWGMMZDNA-UHFFFAOYSA-N 2 2 342.462 3.190 40 0 EGABLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)[nH+]c12 ZINC000097228479 454427455 /nfs/dbraw/zinc/42/74/55/454427455.db2.gz CDRGUKVXCWQGQR-MYYSRTQBSA-N 2 2 341.480 3.273 40 0 EGABLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660650 455350348 /nfs/dbraw/zinc/35/03/48/455350348.db2.gz FVAPJLLPGVGGRR-GUYCJALGSA-N 2 2 336.842 3.293 40 0 EGABLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660650 455350353 /nfs/dbraw/zinc/35/03/53/455350353.db2.gz FVAPJLLPGVGGRR-GUYCJALGSA-N 2 2 336.842 3.293 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306138268 456567981 /nfs/dbraw/zinc/56/79/81/456567981.db2.gz RTVCZACNJSGRPG-OALUTQOASA-N 2 2 330.435 3.249 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@@H]1C[N@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306138268 456567983 /nfs/dbraw/zinc/56/79/83/456567983.db2.gz RTVCZACNJSGRPG-OALUTQOASA-N 2 2 330.435 3.249 40 0 EGABLP Cc1nc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cs1 ZINC000107228413 546695861 /nfs/dbraw/zinc/69/58/61/546695861.db2.gz QVHISMZMIDJTDG-CRAIPNDOSA-N 2 2 344.484 3.082 40 0 EGABLP Cc1nc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cs1 ZINC000107228413 546695867 /nfs/dbraw/zinc/69/58/67/546695867.db2.gz QVHISMZMIDJTDG-CRAIPNDOSA-N 2 2 344.484 3.082 40 0 EGABLP COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350511 216162462 /nfs/dbraw/zinc/16/24/62/216162462.db2.gz LXRWHWPFZBZOFZ-KRWDZBQOSA-N 2 2 349.438 3.051 40 0 EGABLP COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350511 216162464 /nfs/dbraw/zinc/16/24/64/216162464.db2.gz LXRWHWPFZBZOFZ-KRWDZBQOSA-N 2 2 349.438 3.051 40 0 EGABLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000072355458 216163983 /nfs/dbraw/zinc/16/39/83/216163983.db2.gz UWECRXQFGCUGNT-GOSISDBHSA-N 2 2 333.439 3.350 40 0 EGABLP Cc1cccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000072355458 216163986 /nfs/dbraw/zinc/16/39/86/216163986.db2.gz UWECRXQFGCUGNT-GOSISDBHSA-N 2 2 333.439 3.350 40 0 EGABLP Fc1ccc(C[NH+]2CCC(c3cncc(-n4cc[nH+]c4)n3)CC2)cc1 ZINC000072355447 216164540 /nfs/dbraw/zinc/16/45/40/216164540.db2.gz VACQJTUAOSXWLN-UHFFFAOYSA-N 2 2 337.402 3.181 40 0 EGABLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1cnc2ncccn12 ZINC000093318757 218214383 /nfs/dbraw/zinc/21/43/83/218214383.db2.gz KLRXURUBQSOWPT-PXNSSMCTSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1cnc2ncccn12 ZINC000093318757 218214386 /nfs/dbraw/zinc/21/43/86/218214386.db2.gz KLRXURUBQSOWPT-PXNSSMCTSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1cnc2ncccn12 ZINC000093318757 218214389 /nfs/dbraw/zinc/21/43/89/218214389.db2.gz KLRXURUBQSOWPT-PXNSSMCTSA-N 2 2 349.482 3.072 40 0 EGABLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1cnc2ncccn12 ZINC000093318757 218214392 /nfs/dbraw/zinc/21/43/92/218214392.db2.gz KLRXURUBQSOWPT-PXNSSMCTSA-N 2 2 349.482 3.072 40 0 EGABLP COc1ccc(C[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC000096084217 454279889 /nfs/dbraw/zinc/27/98/89/454279889.db2.gz RNFRPZYOYWOKOP-UHFFFAOYSA-N 2 2 342.487 3.093 40 0 EGABLP COc1ccc(C[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC000096084217 454279893 /nfs/dbraw/zinc/27/98/93/454279893.db2.gz RNFRPZYOYWOKOP-UHFFFAOYSA-N 2 2 342.487 3.093 40 0 EGABLP CCc1[nH+]ccn1CCC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257323596 455891835 /nfs/dbraw/zinc/89/18/35/455891835.db2.gz WLAIJYWZHDVKRF-UHFFFAOYSA-N 2 2 340.471 3.020 40 0 EGABLP Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306143421 456569405 /nfs/dbraw/zinc/56/94/05/456569405.db2.gz YCAFLQQADCGACF-ARFHVFGLSA-N 2 2 329.469 3.010 40 0 EGABLP Cc1ccsc1C[N@H+]1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306143421 456569407 /nfs/dbraw/zinc/56/94/07/456569407.db2.gz YCAFLQQADCGACF-ARFHVFGLSA-N 2 2 329.469 3.010 40 0 EGABLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544604 309087691 /nfs/dbraw/zinc/08/76/91/309087691.db2.gz PECXYSHZTWPPPJ-INIZCTEOSA-N 2 2 332.879 3.326 40 0 EGABLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544604 309087692 /nfs/dbraw/zinc/08/76/92/309087692.db2.gz PECXYSHZTWPPPJ-INIZCTEOSA-N 2 2 332.879 3.326 40 0 EGABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)s1 ZINC000096046986 454269219 /nfs/dbraw/zinc/26/92/19/454269219.db2.gz XSOSRKVNXVUZJU-LJQANCHMSA-N 2 2 344.528 3.278 40 0 EGABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)s1 ZINC000096046986 454269223 /nfs/dbraw/zinc/26/92/23/454269223.db2.gz XSOSRKVNXVUZJU-LJQANCHMSA-N 2 2 344.528 3.278 40 0 EGABLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)s1 ZINC000096046986 454269227 /nfs/dbraw/zinc/26/92/27/454269227.db2.gz XSOSRKVNXVUZJU-LJQANCHMSA-N 2 2 344.528 3.278 40 0 EGABLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)s1 ZINC000096046986 454269230 /nfs/dbraw/zinc/26/92/30/454269230.db2.gz XSOSRKVNXVUZJU-LJQANCHMSA-N 2 2 344.528 3.278 40 0 EGABLP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2 ZINC000096055904 454274826 /nfs/dbraw/zinc/27/48/26/454274826.db2.gz SECWQRALNWAVQA-PXNSSMCTSA-N 2 2 348.487 3.074 40 0 EGABLP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2 ZINC000096055904 454274829 /nfs/dbraw/zinc/27/48/29/454274829.db2.gz SECWQRALNWAVQA-PXNSSMCTSA-N 2 2 348.487 3.074 40 0 EGABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2 ZINC000096055904 454274832 /nfs/dbraw/zinc/27/48/32/454274832.db2.gz SECWQRALNWAVQA-PXNSSMCTSA-N 2 2 348.487 3.074 40 0 EGABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2 ZINC000096055904 454274836 /nfs/dbraw/zinc/27/48/36/454274836.db2.gz SECWQRALNWAVQA-PXNSSMCTSA-N 2 2 348.487 3.074 40 0 EGABLP c1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)cs1 ZINC000096205992 454304304 /nfs/dbraw/zinc/30/43/04/454304304.db2.gz NRVPLAQTZZBDSM-SJLPKXTDSA-N 2 2 329.469 3.379 40 0 EGABLP c1cc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)cs1 ZINC000096205992 454304306 /nfs/dbraw/zinc/30/43/06/454304306.db2.gz NRVPLAQTZZBDSM-SJLPKXTDSA-N 2 2 329.469 3.379 40 0 EGABLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)[nH+]c12 ZINC000097228474 454427758 /nfs/dbraw/zinc/42/77/58/454427758.db2.gz CDRGUKVXCWQGQR-IZHWHUGBSA-N 2 2 341.480 3.273 40 0 EGABLP c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[N@@H+](Cc1ccncc1)C2 ZINC000585095462 459822245 /nfs/dbraw/zinc/82/22/45/459822245.db2.gz RSZFHLDJMKKJPL-LJQANCHMSA-N 2 2 347.466 3.412 40 0 EGABLP c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[N@H+](Cc1ccncc1)C2 ZINC000585095462 459822248 /nfs/dbraw/zinc/82/22/48/459822248.db2.gz RSZFHLDJMKKJPL-LJQANCHMSA-N 2 2 347.466 3.412 40 0 EGABLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N(C)c1ccccc1 ZINC000096476619 218853309 /nfs/dbraw/zinc/85/33/09/218853309.db2.gz QJZYIABUAAAHGG-SFHVURJKSA-N 2 2 338.499 3.161 40 0 EGABLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000247258004 455580182 /nfs/dbraw/zinc/58/01/82/455580182.db2.gz YYENXIUWGHCNDJ-MGPUTAFESA-N 2 2 345.437 3.403 40 0 EGABLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000247258004 455580187 /nfs/dbraw/zinc/58/01/87/455580187.db2.gz YYENXIUWGHCNDJ-MGPUTAFESA-N 2 2 345.437 3.403 40 0 EGABLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000252498532 455815227 /nfs/dbraw/zinc/81/52/27/455815227.db2.gz RECHJDNQKBOUMM-HNNXBMFYSA-N 2 2 328.435 3.239 40 0 EGABLP COc1cc(C[N@@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)ccc1F ZINC000257302895 455886228 /nfs/dbraw/zinc/88/62/28/455886228.db2.gz SEWNADWCSYLPEY-KRWDZBQOSA-N 2 2 344.434 3.023 40 0 EGABLP COc1cc(C[N@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)ccc1F ZINC000257302895 455886232 /nfs/dbraw/zinc/88/62/32/455886232.db2.gz SEWNADWCSYLPEY-KRWDZBQOSA-N 2 2 344.434 3.023 40 0 EGABLP Clc1ccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228922978 575000035 /nfs/dbraw/zinc/00/00/35/575000035.db2.gz YAJCDCFIEZSOCN-UHFFFAOYSA-N 2 2 342.834 3.016 40 0 EGABLP Cc1[nH+]ccn1-c1cccc(C2CCN(c3cc(C)[nH+]cn3)CC2)n1 ZINC000072355697 216164167 /nfs/dbraw/zinc/16/41/67/216164167.db2.gz CLKPNHVOBUNZBZ-UHFFFAOYSA-N 2 2 334.427 3.058 40 0 EGABLP CCn1c[nH+]cc1CN(Cc1cccs1)C[C@@H]1CCC[N@@H+]1CC ZINC000023247886 212363574 /nfs/dbraw/zinc/36/35/74/212363574.db2.gz YPQOSTXSFYRXDM-INIZCTEOSA-N 2 2 332.517 3.451 40 0 EGABLP CCn1c[nH+]cc1CN(Cc1cccs1)C[C@@H]1CCC[N@H+]1CC ZINC000023247886 212363578 /nfs/dbraw/zinc/36/35/78/212363578.db2.gz YPQOSTXSFYRXDM-INIZCTEOSA-N 2 2 332.517 3.451 40 0 EGABLP Cc1cc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000179823983 301353527 /nfs/dbraw/zinc/35/35/27/301353527.db2.gz UDBDNLUXCOQJEA-UHFFFAOYSA-N 2 2 338.455 3.348 40 0 EGABLP Cc1cc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000179823983 301353528 /nfs/dbraw/zinc/35/35/28/301353528.db2.gz UDBDNLUXCOQJEA-UHFFFAOYSA-N 2 2 338.455 3.348 40 0 EGABLP O=C(Cn1cc[nH+]c1)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000019375824 453656821 /nfs/dbraw/zinc/65/68/21/453656821.db2.gz CAQOFFCTALXWEM-UHFFFAOYSA-N 2 2 345.406 3.183 40 0 EGABLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000121311919 454420614 /nfs/dbraw/zinc/42/06/14/454420614.db2.gz AJHSPVGOOBBCNX-UHFFFAOYSA-N 2 2 338.455 3.348 40 0 EGABLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000121311919 454420618 /nfs/dbraw/zinc/42/06/18/454420618.db2.gz AJHSPVGOOBBCNX-UHFFFAOYSA-N 2 2 338.455 3.348 40 0 EGABLP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194328 454727284 /nfs/dbraw/zinc/72/72/84/454727284.db2.gz FVAPJLLPGVGGRR-CXAGYDPISA-N 2 2 336.842 3.293 40 0 EGABLP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194328 454727287 /nfs/dbraw/zinc/72/72/87/454727287.db2.gz FVAPJLLPGVGGRR-CXAGYDPISA-N 2 2 336.842 3.293 40 0 EGABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2CC2CCOCC2)[nH+]1 ZINC000257331539 455893375 /nfs/dbraw/zinc/89/33/75/455893375.db2.gz XTHVAPRFRNQDKH-IBGZPJMESA-N 2 2 331.504 3.361 40 0 EGABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2CC2CCOCC2)[nH+]1 ZINC000257331539 455893379 /nfs/dbraw/zinc/89/33/79/455893379.db2.gz XTHVAPRFRNQDKH-IBGZPJMESA-N 2 2 331.504 3.361 40 0 EGABLP Clc1ccccc1CNc1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228935820 564118157 /nfs/dbraw/zinc/11/81/57/564118157.db2.gz QJYQNRRBMFKIFA-UHFFFAOYSA-N 2 2 342.834 3.016 40 0 EGABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000036740313 213115073 /nfs/dbraw/zinc/11/50/73/213115073.db2.gz ZZUDUCXGXDQZEO-UHFFFAOYSA-N 2 2 336.439 3.379 40 0 EGABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000036740313 213115075 /nfs/dbraw/zinc/11/50/75/213115075.db2.gz ZZUDUCXGXDQZEO-UHFFFAOYSA-N 2 2 336.439 3.379 40 0 EGABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350542 216161739 /nfs/dbraw/zinc/16/17/39/216161739.db2.gz JWYDSVYREGKLJU-IBGZPJMESA-N 2 2 347.466 3.393 40 0 EGABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350542 216161740 /nfs/dbraw/zinc/16/17/40/216161740.db2.gz JWYDSVYREGKLJU-IBGZPJMESA-N 2 2 347.466 3.393 40 0 EGABLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000084259897 453980981 /nfs/dbraw/zinc/98/09/81/453980981.db2.gz MIROCNJPPRCDSS-UHFFFAOYSA-N 2 2 348.450 3.071 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306138269 456568181 /nfs/dbraw/zinc/56/81/81/456568181.db2.gz RTVCZACNJSGRPG-RBUKOAKNSA-N 2 2 330.435 3.249 40 0 EGABLP c1[nH+]c2n(c1-c1ccccc1)C[C@H]1C[N@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306138269 456568186 /nfs/dbraw/zinc/56/81/86/456568186.db2.gz RTVCZACNJSGRPG-RBUKOAKNSA-N 2 2 330.435 3.249 40 0 EGABLP c1coc(C[NH+]2CCC3(Cc4[nH+]cc(-c5cccnc5)n4C3)CC2)c1 ZINC000306137179 456568281 /nfs/dbraw/zinc/56/82/81/456568281.db2.gz QNVMQMFSFRDZIF-UHFFFAOYSA-N 2 2 334.423 3.377 40 0 EGABLP c1csc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306137920 456568393 /nfs/dbraw/zinc/56/83/93/456568393.db2.gz RKCBXZLMELHCHT-JKSUJKDBSA-N 2 2 336.464 3.311 40 0 EGABLP c1csc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306137920 456568398 /nfs/dbraw/zinc/56/83/98/456568398.db2.gz RKCBXZLMELHCHT-JKSUJKDBSA-N 2 2 336.464 3.311 40 0 EGABLP Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000299375094 456672440 /nfs/dbraw/zinc/67/24/40/456672440.db2.gz LUDHYWLNWNVGFX-MRXNPFEDSA-N 2 2 325.460 3.379 40 0 EGABLP Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000299375094 456672447 /nfs/dbraw/zinc/67/24/47/456672447.db2.gz LUDHYWLNWNVGFX-MRXNPFEDSA-N 2 2 325.460 3.379 40 0 EGABLP