smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@@H+]2CC=C(c3nc4cc(Br)ccc4o3)CC2)cc1 ZINC000226251093 209188369 /nfs/dbraw/zinc/18/83/69/209188369.db2.gz DCTWPWFGNSPNHY-UHFFFAOYSA-N 1 1 383.289 5.188 40 0 GKABMO C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000000829478 212186620 /nfs/dbraw/zinc/18/66/20/212186620.db2.gz NTQGEZJOMVFLMK-PAWHMVCQSA-N 1 1 375.487 5.468 40 0 GKABMO CCOc1ccc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)cc1OCC ZINC000065090610 212075731 /nfs/dbraw/zinc/07/57/31/212075731.db2.gz XWXCHRMXLYQKBP-UHFFFAOYSA-N 1 1 390.405 6.103 40 0 GKABMO O=C(CSC1=[NH+]C2(CCCCC2)C2=C(CCCC2)N1)c1ccc(Cl)cc1 ZINC000005750291 212067505 /nfs/dbraw/zinc/06/75/05/212067505.db2.gz KZWALDFQXYUMHQ-UHFFFAOYSA-N 1 1 388.964 5.746 40 0 GKABMO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@@H+]2C[C@H](C)CC[C@@H]12 ZINC000002572094 203949273 /nfs/dbraw/zinc/94/92/73/203949273.db2.gz JVKYZPBMZPJNAJ-MEPOCMDBSA-N 1 1 397.647 5.655 40 0 GKABMO C[C@H](COc1ccccc1)[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000004214178 204032350 /nfs/dbraw/zinc/03/23/50/204032350.db2.gz NHXOILLCRMVISV-OAQYLSRUSA-N 1 1 375.512 5.192 40 0 in-man GKABMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004785653 204076227 /nfs/dbraw/zinc/07/62/27/204076227.db2.gz XYXSWNLJRUZOJN-DZDPFUOBSA-N 1 1 385.551 5.660 40 0 GKABMO C[NH+](C)CCCNc1cc(/C=C\c2cccc3ccccc23)nc2ccccc21 ZINC000005640045 204144841 /nfs/dbraw/zinc/14/48/41/204144841.db2.gz KNZPIACDSLJOOD-NXVVXOECSA-N 1 1 381.523 5.922 40 0 GKABMO CC[NH+](CC)CC[C@H](CNc1c(C)cnc2cc(Cl)ccc21)c1ccccc1 ZINC000008580821 204280479 /nfs/dbraw/zinc/28/04/79/204280479.db2.gz GODDWVGFUYMAFN-HXUWFJFHSA-N 1 1 395.978 6.124 40 0 GKABMO Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833166 205039395 /nfs/dbraw/zinc/03/93/95/205039395.db2.gz FESUMPRURGWKRH-OAHLLOKOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833166 205039399 /nfs/dbraw/zinc/03/93/99/205039399.db2.gz FESUMPRURGWKRH-OAHLLOKOSA-N 1 1 377.315 5.153 40 0 GKABMO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833821 205039591 /nfs/dbraw/zinc/03/95/91/205039591.db2.gz HKTVFRGGDVOHEH-CYBMUJFWSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833821 205039596 /nfs/dbraw/zinc/03/95/96/205039596.db2.gz HKTVFRGGDVOHEH-CYBMUJFWSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038852395 205040788 /nfs/dbraw/zinc/04/07/88/205040788.db2.gz NLIWQGQCPFNMQW-GOSISDBHSA-N 1 1 395.374 5.212 40 0 GKABMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038852395 205040792 /nfs/dbraw/zinc/04/07/92/205040792.db2.gz NLIWQGQCPFNMQW-GOSISDBHSA-N 1 1 395.374 5.212 40 0 GKABMO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038833776 205039300 /nfs/dbraw/zinc/03/93/00/205039300.db2.gz LGVRBZMEJHUHLH-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372503 205337120 /nfs/dbraw/zinc/33/71/20/205337120.db2.gz PYTRENZGWMOUQV-OAQYLSRUSA-N 1 1 394.544 5.244 40 0 GKABMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372503 205337125 /nfs/dbraw/zinc/33/71/25/205337125.db2.gz PYTRENZGWMOUQV-OAQYLSRUSA-N 1 1 394.544 5.244 40 0 GKABMO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577275 206059078 /nfs/dbraw/zinc/05/90/78/206059078.db2.gz SBPHCBQGEKJKNB-UHFFFAOYSA-N 1 1 395.305 5.292 40 0 GKABMO COc1cc2cccnc2c(NCCCNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000001653212 206388643 /nfs/dbraw/zinc/38/86/43/206388643.db2.gz ZPUZVMDOBFKANM-UHFFFAOYSA-N 1 1 392.890 5.359 40 0 GKABMO Clc1ccc(CNCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000079942564 211158249 /nfs/dbraw/zinc/15/82/49/211158249.db2.gz XEHSYSDCVMIGHW-UHFFFAOYSA-N 1 1 392.157 5.570 40 0 GKABMO Cc1cccc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cccc4ncccc34)n2)n1 ZINC000072375735 211106031 /nfs/dbraw/zinc/10/60/31/211106031.db2.gz CHKOCDUSIZMTBR-QHCPKHFHSA-N 1 1 395.510 5.414 40 0 GKABMO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072357722 211098972 /nfs/dbraw/zinc/09/89/72/211098972.db2.gz PWLGPCIMFGIJQW-QFIPXVFZSA-N 1 1 397.444 5.423 40 0 GKABMO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000072357671 211098805 /nfs/dbraw/zinc/09/88/05/211098805.db2.gz WMWSLPKHIYTCRD-QFIPXVFZSA-N 1 1 397.444 5.423 40 0 GKABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3cccc(OC)c3)n2)cc1 ZINC000072357532 211098649 /nfs/dbraw/zinc/09/86/49/211098649.db2.gz YOMDHWZRVOPJEB-RUZDIDTESA-N 1 1 388.511 5.027 40 0 GKABMO c1csc(C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)c2nccs2)c1 ZINC000019349519 207118466 /nfs/dbraw/zinc/11/84/66/207118466.db2.gz GGDUFRWFKOLWQE-IBGZPJMESA-N 1 1 384.570 5.600 40 0 GKABMO COc1ccc2nc(C[NH2+][C@H](Cc3cccs3)c3nc(C)cs3)ccc2c1 ZINC000019240090 207110862 /nfs/dbraw/zinc/11/08/62/207110862.db2.gz WEZLNELNQIKSDQ-HXUWFJFHSA-N 1 1 395.553 5.143 40 0 GKABMO CSc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039751108 533021253 /nfs/dbraw/zinc/02/12/53/533021253.db2.gz GPIYBHBZDZJKLS-UHFFFAOYSA-N 1 1 392.927 5.052 40 0 GKABMO Cc1cccc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cccc4ncccc34)n2)n1 ZINC000072375736 208009742 /nfs/dbraw/zinc/00/97/42/208009742.db2.gz CHKOCDUSIZMTBR-HSZRJFAPSA-N 1 1 395.510 5.414 40 0 GKABMO c1csc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cccc4ncccc34)n2)n1 ZINC000072375739 208010175 /nfs/dbraw/zinc/01/01/75/208010175.db2.gz OBXXRQMJWOKCIB-HXUWFJFHSA-N 1 1 387.512 5.167 40 0 GKABMO c1ccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cccc4ncccc34)n2)nc1 ZINC000072375734 208010533 /nfs/dbraw/zinc/01/05/33/208010533.db2.gz INJAGXWEBNCIAY-JOCHJYFZSA-N 1 1 381.483 5.106 40 0 GKABMO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)c1 ZINC000072380359 208012625 /nfs/dbraw/zinc/01/26/25/208012625.db2.gz HHVDPUWVJFSVOA-HXUWFJFHSA-N 1 1 386.474 5.144 40 0 GKABMO Cc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)s1 ZINC000019691917 210282449 /nfs/dbraw/zinc/28/24/49/210282449.db2.gz SNONUFCCQHKNOP-QFIPXVFZSA-N 1 1 381.520 5.222 40 0 GKABMO Cc1c(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)cnn1C ZINC000019690882 210281515 /nfs/dbraw/zinc/28/15/15/210281515.db2.gz OVPWPNODHQUBCO-QHCPKHFHSA-N 1 1 394.950 5.013 40 0 GKABMO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000004375773 220713095 /nfs/dbraw/zinc/71/30/95/220713095.db2.gz FTGMSKYZJVDEFA-NWDWJUPMSA-N 1 1 389.514 5.714 40 0 GKABMO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccco1 ZINC000007523616 221000422 /nfs/dbraw/zinc/00/04/22/221000422.db2.gz KJTUYYJYGPNDIE-UHFFFAOYSA-N 1 1 377.871 5.955 40 0 GKABMO Cc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=[NH+]CCCCC2)cc1 ZINC000008411705 221040831 /nfs/dbraw/zinc/04/08/31/221040831.db2.gz XPAZJHQAAIIUIV-UHFFFAOYSA-N 1 1 399.332 5.419 40 0 GKABMO CCN(CC)c1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717379 221051906 /nfs/dbraw/zinc/05/19/06/221051906.db2.gz JDYAKPKTPSINDH-DFBJGRDBSA-N 1 1 395.591 5.496 40 0 GKABMO Cc1ccc(-c2cc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(Cl)cc3)[N@@H+]4C)on2)cc1 ZINC000013532740 221272148 /nfs/dbraw/zinc/27/21/48/221272148.db2.gz AUXUFNHAVGIVDC-IKJKNFHUSA-N 1 1 392.930 6.037 40 0 in-vitro GKABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1CC1CCCCC1)c1ccccn1 ZINC000019081697 221396745 /nfs/dbraw/zinc/39/67/45/221396745.db2.gz OSGBAJHDRQKEEV-RBBKRZOGSA-N 1 1 385.596 5.110 40 0 GKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2cc(F)cc(F)c2)on1 ZINC000019120467 221398126 /nfs/dbraw/zinc/39/81/26/221398126.db2.gz MTWYSBZOTPDARZ-WMZHIEFXSA-N 1 1 397.469 5.070 40 0 GKABMO CCc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718243 136153798 /nfs/dbraw/zinc/15/37/98/136153798.db2.gz HMBIPVPERAGJQZ-HDICACEKSA-N 1 1 389.543 5.185 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@@H+]1CCC[C@H](C)C1 ZINC000226329701 136192488 /nfs/dbraw/zinc/19/24/88/136192488.db2.gz TXBOSBVQJQFLRK-INIZCTEOSA-N 1 1 379.548 5.363 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@H+]1CCC[C@H](C)C1 ZINC000226329701 136192489 /nfs/dbraw/zinc/19/24/89/136192489.db2.gz TXBOSBVQJQFLRK-INIZCTEOSA-N 1 1 379.548 5.363 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[N@@H+]1CCC[C@@H](C)C1 ZINC000226330844 136192747 /nfs/dbraw/zinc/19/27/47/136192747.db2.gz DRLCPLFPLPLUKX-GFCCVEGCSA-N 1 1 392.330 5.373 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[N@H+]1CCC[C@@H](C)C1 ZINC000226330844 136192748 /nfs/dbraw/zinc/19/27/48/136192748.db2.gz DRLCPLFPLPLUKX-GFCCVEGCSA-N 1 1 392.330 5.373 40 0 GKABMO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1 ZINC000257316492 209074297 /nfs/dbraw/zinc/07/42/97/209074297.db2.gz VFVYGQPCLVQUGQ-JOCHJYFZSA-N 1 1 376.479 5.052 40 0 GKABMO OCc1ccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)n2)cc1 ZINC000072350439 222238364 /nfs/dbraw/zinc/23/83/64/222238364.db2.gz LFOLNHIZYYGBDR-QHCPKHFHSA-N 1 1 397.522 5.102 40 0 GKABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccccc3OC)n2)cc1 ZINC000072357535 222239210 /nfs/dbraw/zinc/23/92/10/222239210.db2.gz RZAVYUIVJGCCPJ-DEOSSOPVSA-N 1 1 388.511 5.027 40 0 GKABMO O=C(c1ccc(-c2ccccc2)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408613172 534680150 /nfs/dbraw/zinc/68/01/50/534680150.db2.gz XUDBCTPZGVQSMD-UHFFFAOYSA-N 1 1 396.534 5.017 40 0 GKABMO O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613714 534680636 /nfs/dbraw/zinc/68/06/36/534680636.db2.gz ZQAUXIMOVDQAMC-AREMUKBSSA-N 1 1 396.534 5.017 40 0 GKABMO CCCc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C)CC4)cc3)cc2c1 ZINC000057712778 535427276 /nfs/dbraw/zinc/42/72/76/535427276.db2.gz NWQAWOYNSMFEPL-UHFFFAOYSA-N 1 1 389.543 5.329 40 0 GKABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000035446672 560079504 /nfs/dbraw/zinc/07/95/04/560079504.db2.gz AYEMYKCLAPEPES-ZDUSSCGKSA-N 1 1 379.813 5.225 40 0 biogenic,in-vitro GKABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000035446672 560079506 /nfs/dbraw/zinc/07/95/06/560079506.db2.gz AYEMYKCLAPEPES-ZDUSSCGKSA-N 1 1 379.813 5.225 40 0 biogenic,in-vitro GKABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000035446672 560079508 /nfs/dbraw/zinc/07/95/08/560079508.db2.gz AYEMYKCLAPEPES-ZDUSSCGKSA-N 1 1 379.813 5.225 40 0 biogenic,in-vitro GKABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000005163631 570245849 /nfs/dbraw/zinc/24/58/49/570245849.db2.gz BUZOOTVRWDNERF-OIBXWCBGSA-N 1 1 385.935 5.217 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)C1 ZINC000020457696 570259555 /nfs/dbraw/zinc/25/95/55/570259555.db2.gz IZYJQYICKHOROE-AWEZNQCLSA-N 1 1 377.315 5.478 40 0 GKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000102614550 570290426 /nfs/dbraw/zinc/29/04/26/570290426.db2.gz BBDOSESKEVIKKL-HNNXBMFYSA-N 1 1 391.342 5.083 40 0 GKABMO CC1=C[C@@H](C)[C@@H](CN2CC[N@@H+](C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677508 570291146 /nfs/dbraw/zinc/29/11/46/570291146.db2.gz VQHCAYWQEPUJSF-AZNQLJSZSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@@H](C[N@H+]2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677508 570291147 /nfs/dbraw/zinc/29/11/47/570291147.db2.gz VQHCAYWQEPUJSF-AZNQLJSZSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677508 570291150 /nfs/dbraw/zinc/29/11/50/570291150.db2.gz VQHCAYWQEPUJSF-AZNQLJSZSA-N 1 1 386.668 6.063 40 0 GKABMO CC(C)C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000216202189 570297099 /nfs/dbraw/zinc/29/70/99/570297099.db2.gz OIMZMXHIXJJLCX-HYBUGGRVSA-N 1 1 378.560 5.436 40 0 GKABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215626 570313762 /nfs/dbraw/zinc/31/37/62/570313762.db2.gz JOSMZNDWXDHMTD-FQEVSTJZSA-N 1 1 387.568 5.559 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214762 570314762 /nfs/dbraw/zinc/31/47/62/570314762.db2.gz BOUPMTDMXODRII-LJQANCHMSA-N 1 1 375.557 5.560 40 0 GKABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214788 570314812 /nfs/dbraw/zinc/31/48/12/570314812.db2.gz LPEPAOKQGHIDIQ-HXUWFJFHSA-N 1 1 381.520 5.180 40 0 GKABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214787 570314823 /nfs/dbraw/zinc/31/48/23/570314823.db2.gz LPEPAOKQGHIDIQ-FQEVSTJZSA-N 1 1 381.520 5.180 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214583 570314839 /nfs/dbraw/zinc/31/48/39/570314839.db2.gz SASVGWMDBHJQCT-FQEVSTJZSA-N 1 1 389.584 5.806 40 0 GKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214564 570314875 /nfs/dbraw/zinc/31/48/75/570314875.db2.gz DFOFCASHPFRNFI-IBGZPJMESA-N 1 1 375.557 5.416 40 0 GKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214579 570315045 /nfs/dbraw/zinc/31/50/45/570315045.db2.gz CWPVSFMUIIDUAZ-LJQANCHMSA-N 1 1 375.557 5.415 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CCCC)cn1 ZINC000072215003 570315237 /nfs/dbraw/zinc/31/52/37/570315237.db2.gz JOHJGGCBHUFYAA-FQEVSTJZSA-N 1 1 389.584 5.950 40 0 GKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214940 570315321 /nfs/dbraw/zinc/31/53/21/570315321.db2.gz ZUPFSHORESGPBN-LJQANCHMSA-N 1 1 375.557 5.415 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CCC)cn1 ZINC000072214997 570315387 /nfs/dbraw/zinc/31/53/87/570315387.db2.gz YDPCEZGLYMBEIH-LJQANCHMSA-N 1 1 375.557 5.560 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072215152 570315416 /nfs/dbraw/zinc/31/54/16/570315416.db2.gz FYSDTSBIVHZWDT-HKUYNNGSSA-N 1 1 375.557 5.557 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CCC ZINC000072215057 570315434 /nfs/dbraw/zinc/31/54/34/570315434.db2.gz QWEAJBZPRYPXDU-LJQANCHMSA-N 1 1 375.557 5.560 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072215124 570315484 /nfs/dbraw/zinc/31/54/84/570315484.db2.gz LOZVOYSKTWJCLY-PKOBYXMFSA-N 1 1 375.557 5.415 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072215042 570315530 /nfs/dbraw/zinc/31/55/30/570315530.db2.gz RUNNERZIWNVLAN-LJQANCHMSA-N 1 1 375.557 5.416 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072215121 570315542 /nfs/dbraw/zinc/31/55/42/570315542.db2.gz LOZVOYSKTWJCLY-MJGOQNOKSA-N 1 1 375.557 5.415 40 0 GKABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215565 570315739 /nfs/dbraw/zinc/31/57/39/570315739.db2.gz TWSQQJRYFDCKQM-HXUWFJFHSA-N 1 1 387.568 5.559 40 0 GKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215525 570315817 /nfs/dbraw/zinc/31/58/17/570315817.db2.gz VZFJXPVPDITNJF-FQEVSTJZSA-N 1 1 387.568 5.559 40 0 GKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000072215372 570315827 /nfs/dbraw/zinc/31/58/27/570315827.db2.gz RVQVYOCXSALNIF-OAQYLSRUSA-N 1 1 393.531 5.323 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072215270 570315894 /nfs/dbraw/zinc/31/58/94/570315894.db2.gz USZZUPMZZKFOGZ-AZUAARDMSA-N 1 1 389.584 5.805 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215272 570315942 /nfs/dbraw/zinc/31/59/42/570315942.db2.gz IJIFHVIXKRFLBL-ICSRJNTNSA-N 1 1 389.584 5.949 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215526 570315972 /nfs/dbraw/zinc/31/59/72/570315972.db2.gz JPFZUPSGKWYRFV-HXUWFJFHSA-N 1 1 387.568 5.703 40 0 GKABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215742 570316444 /nfs/dbraw/zinc/31/64/44/570316444.db2.gz WYAUAIXFSUEJMM-FQEVSTJZSA-N 1 1 387.568 5.701 40 0 GKABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215743 570316520 /nfs/dbraw/zinc/31/65/20/570316520.db2.gz 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CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215861 570316904 /nfs/dbraw/zinc/31/69/04/570316904.db2.gz PJTGSHQJAQCPKE-HXUWFJFHSA-N 1 1 381.520 5.700 40 0 GKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215867 570316938 /nfs/dbraw/zinc/31/69/38/570316938.db2.gz JTLCKSRNFBHGSP-OAQYLSRUSA-N 1 1 395.547 6.092 40 0 GKABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)CC2)N1CC1CCCCC1 ZINC000585100673 570319722 /nfs/dbraw/zinc/31/97/22/570319722.db2.gz SFJAPDKALJHMGI-SANMLTNESA-N 1 1 394.603 5.103 40 0 GKABMO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc1 ZINC000585169580 570319911 /nfs/dbraw/zinc/31/99/11/570319911.db2.gz HLLSWNQLBVPWBK-HXUWFJFHSA-N 1 1 395.934 5.126 40 0 GKABMO CCCCC[N@H+]1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262945 570320591 /nfs/dbraw/zinc/32/05/91/570320591.db2.gz QWEVBZOSENOEGF-KRWDZBQOSA-N 1 1 382.939 5.419 40 0 GKABMO CC[NH+](CC)CCC[C@@H](C)Nc1cc(-c2ccccc2)nc2ccc(OC)cc21 ZINC000003594589 570348554 /nfs/dbraw/zinc/34/85/54/570348554.db2.gz JQPKHUXJENEBIZ-LJQANCHMSA-N 1 1 391.559 5.833 40 0 GKABMO CCCC[N@@H+](CCC)CCCCCCCCCCN1CCCc2ccccc21 ZINC000004366808 570371561 /nfs/dbraw/zinc/37/15/61/570371561.db2.gz QGOCAPRQPHRULO-UHFFFAOYSA-N 1 1 386.668 7.072 40 0 GKABMO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375786 570372250 /nfs/dbraw/zinc/37/22/50/570372250.db2.gz NTQGEZJOMVFLMK-XELASAAXSA-N 1 1 375.487 5.468 40 0 GKABMO CCOc1ccc([C@@](O)(CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)Cc2ccccc2)cc1 ZINC000004934836 570418692 /nfs/dbraw/zinc/41/86/92/570418692.db2.gz BBZDVRBAVMFHAA-RZPFDVGOSA-N 1 1 393.571 5.028 40 0 GKABMO Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000035289759 570455320 /nfs/dbraw/zinc/45/53/20/570455320.db2.gz JIUUAPHQOIMPRN-FRIKZZABSA-N 1 1 395.522 5.150 40 0 GKABMO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)c1 ZINC000035289767 570455494 /nfs/dbraw/zinc/45/54/94/570455494.db2.gz 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Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccco2)c(Cl)c1 ZINC000007523697 570507097 /nfs/dbraw/zinc/50/70/97/570507097.db2.gz HGTUVEXXMSYIJY-UHFFFAOYSA-N 1 1 396.701 6.109 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)C1 ZINC000224334647 570509732 /nfs/dbraw/zinc/50/97/32/570509732.db2.gz JNUIBWPBUUOAPB-FQEVSTJZSA-N 1 1 399.538 5.157 40 0 GKABMO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224549034 570517511 /nfs/dbraw/zinc/51/75/11/570517511.db2.gz QNVPUCDFMROCQS-INIZCTEOSA-N 1 1 382.951 5.024 40 0 GKABMO C[C@@H](COc1ccccc1)[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000033854766 570529752 /nfs/dbraw/zinc/52/97/52/570529752.db2.gz NHXOILLCRMVISV-NRFANRHFSA-N 1 1 375.512 5.192 40 0 in-man GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC000224879806 570535962 /nfs/dbraw/zinc/53/59/62/570535962.db2.gz GOVOQMPPNBOELM-OAHLLOKOSA-N 1 1 392.421 5.069 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000038755070 570582287 /nfs/dbraw/zinc/58/22/87/570582287.db2.gz WCVBMQQPGAEYOP-OAHLLOKOSA-N 1 1 391.342 5.155 40 0 GKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000038832836 570584658 /nfs/dbraw/zinc/58/46/58/570584658.db2.gz MUUOBUXLNQCCSQ-NVXWUHKLSA-N 1 1 391.342 5.083 40 0 GKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000038832836 570584659 /nfs/dbraw/zinc/58/46/59/570584659.db2.gz MUUOBUXLNQCCSQ-NVXWUHKLSA-N 1 1 391.342 5.083 40 0 GKABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833072 570585088 /nfs/dbraw/zinc/58/50/88/570585088.db2.gz CFFFZKUBYUTOEU-SANMLTNESA-N 1 1 398.550 5.128 40 0 GKABMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833230 570585198 /nfs/dbraw/zinc/58/51/98/570585198.db2.gz WDGIWCNMZPCEJL-HNNXBMFYSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833230 570585200 /nfs/dbraw/zinc/58/52/00/570585200.db2.gz WDGIWCNMZPCEJL-HNNXBMFYSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000038833340 570585234 /nfs/dbraw/zinc/58/52/34/570585234.db2.gz OZTSPHCCWLIFMA-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000038833340 570585236 /nfs/dbraw/zinc/58/52/36/570585236.db2.gz OZTSPHCCWLIFMA-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833163 570585260 /nfs/dbraw/zinc/58/52/60/570585260.db2.gz XSTFVRTUTFEBHS-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833163 570585262 /nfs/dbraw/zinc/58/52/62/570585262.db2.gz XSTFVRTUTFEBHS-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833401 570585287 /nfs/dbraw/zinc/58/52/87/570585287.db2.gz DCSKOEARIZVIOV-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833401 570585289 /nfs/dbraw/zinc/58/52/89/570585289.db2.gz DCSKOEARIZVIOV-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833817 570585660 /nfs/dbraw/zinc/58/56/60/570585660.db2.gz PFSRTPNWPRHOBR-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833817 570585663 /nfs/dbraw/zinc/58/56/63/570585663.db2.gz PFSRTPNWPRHOBR-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834056 570585835 /nfs/dbraw/zinc/58/58/35/570585835.db2.gz AJWTYQDIDUOGGM-IBGZPJMESA-N 1 1 378.903 5.344 40 0 GKABMO CCc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038835326 570586590 /nfs/dbraw/zinc/58/65/90/570586590.db2.gz PNZUZDDFLJTVDQ-UHFFFAOYSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1C ZINC000038835185 570586670 /nfs/dbraw/zinc/58/66/70/570586670.db2.gz NAZREKLIEBBNNI-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1C ZINC000038835185 570586672 /nfs/dbraw/zinc/58/66/72/570586672.db2.gz NAZREKLIEBBNNI-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO CC(C)C(NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)C(C)C ZINC000038849186 570587056 /nfs/dbraw/zinc/58/70/56/570587056.db2.gz GDAMHZFNCAGNDJ-UHFFFAOYSA-N 1 1 385.379 5.002 40 0 GKABMO O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038860330 570588392 /nfs/dbraw/zinc/58/83/92/570588392.db2.gz PEDLFBZLVJIBRL-HNNXBMFYSA-N 1 1 396.840 5.210 40 0 GKABMO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225578594 570590191 /nfs/dbraw/zinc/59/01/91/570590191.db2.gz VXFUSSWSIMVPRP-UHFFFAOYSA-N 1 1 392.927 5.052 40 0 GKABMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C ZINC000044856301 570636776 /nfs/dbraw/zinc/63/67/76/570636776.db2.gz HXMIHKHDUSTAHV-WIYYLYMNSA-N 1 1 384.951 5.046 40 0 GKABMO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCCC2)c1 ZINC000004857172 570638247 /nfs/dbraw/zinc/63/82/47/570638247.db2.gz RNKRNDMYUQHLPK-XDNSSPFJSA-N 1 1 385.621 5.308 40 0 GKABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2C)C3)cc1 ZINC000004857247 570638339 /nfs/dbraw/zinc/63/83/39/570638339.db2.gz ONCINZPWHTYSKU-FRIKZZABSA-N 1 1 393.600 5.176 40 0 GKABMO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1 ZINC000004887687 570642824 /nfs/dbraw/zinc/64/28/24/570642824.db2.gz XHQXJBKUYDAUAU-CTXDPNEZSA-N 1 1 392.012 5.345 40 0 GKABMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934749 570643835 /nfs/dbraw/zinc/64/38/35/570643835.db2.gz ALHFAOPHNIFHSO-UYAOXDASSA-N 1 1 384.951 5.046 40 0 GKABMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044936633 570644358 /nfs/dbraw/zinc/64/43/58/570644358.db2.gz OAYUPJZVXUAENB-GGAORHGYSA-N 1 1 398.978 5.456 40 0 GKABMO CCSc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044938515 570644765 /nfs/dbraw/zinc/64/47/65/570644765.db2.gz YXZLIURYEXPDHR-KRWDZBQOSA-N 1 1 388.964 5.303 40 0 GKABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1 ZINC000013570226 570850650 /nfs/dbraw/zinc/85/06/50/570850650.db2.gz XCULKZIATSAZEF-UHFFFAOYSA-N 1 1 386.417 5.311 40 0 GKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1 ZINC000013570226 570850653 /nfs/dbraw/zinc/85/06/53/570850653.db2.gz XCULKZIATSAZEF-UHFFFAOYSA-N 1 1 386.417 5.311 40 0 GKABMO Cc1cccc2cc3c(nc12)OCC[N@H+](CCc1ccc(-c2ccccc2)cc1)C3 ZINC000013563768 570852178 /nfs/dbraw/zinc/85/21/78/570852178.db2.gz CDTBQGLIOBLLMZ-UHFFFAOYSA-N 1 1 394.518 5.647 40 0 GKABMO Cc1cccc2cc3c(nc12)OCC[N@@H+](CCc1ccc(-c2ccccc2)cc1)C3 ZINC000013563768 570852182 /nfs/dbraw/zinc/85/21/82/570852182.db2.gz CDTBQGLIOBLLMZ-UHFFFAOYSA-N 1 1 394.518 5.647 40 0 GKABMO CC1=C[C@@H](C)[C@H](CN2CC[N@@H+](C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325803 570925250 /nfs/dbraw/zinc/92/52/50/570925250.db2.gz VQHCAYWQEPUJSF-MDVRCGTFSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@H](C[N@H+]2CCN(C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325803 570925251 /nfs/dbraw/zinc/92/52/51/570925251.db2.gz VQHCAYWQEPUJSF-MDVRCGTFSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCN(C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325803 570925254 /nfs/dbraw/zinc/92/52/54/570925254.db2.gz VQHCAYWQEPUJSF-MDVRCGTFSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCN(C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@@H](C)C1 ZINC000019325806 570925352 /nfs/dbraw/zinc/92/53/52/570925352.db2.gz VQHCAYWQEPUJSF-DBYOUFMXSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@H](CN2CC[N@H+](C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@@H](C)C1 ZINC000019325806 570925354 /nfs/dbraw/zinc/92/53/54/570925354.db2.gz VQHCAYWQEPUJSF-DBYOUFMXSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@H](CN2CC[N@@H+](C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@@H](C)C1 ZINC000019325806 570925356 /nfs/dbraw/zinc/92/53/56/570925356.db2.gz VQHCAYWQEPUJSF-DBYOUFMXSA-N 1 1 386.668 6.063 40 0 GKABMO Cc1ccccc1C(c1ccccc1C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@](O)(c1ccccc1)C2 ZINC000584567018 570940392 /nfs/dbraw/zinc/94/03/92/570940392.db2.gz LOSJNRBXNQTUNT-GPNILKFXSA-N 1 1 397.562 5.907 40 0 GKABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019083439 570956122 /nfs/dbraw/zinc/95/61/22/570956122.db2.gz JHZJNZJCTNAJNT-UHFFFAOYSA-N 1 1 398.554 5.500 40 0 GKABMO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000019210163 570959971 /nfs/dbraw/zinc/95/99/71/570959971.db2.gz OJCOQPPQWMIBAL-UHFFFAOYSA-N 1 1 396.494 5.175 40 0 GKABMO c1ccc(Cn2c3ccccc3c3c2[C@]2(c4ccccc4)CCC[N@H+]2CC3)cc1 ZINC000021963914 570961160 /nfs/dbraw/zinc/96/11/60/570961160.db2.gz VSWZVHRGFRBFBY-HHHXNRCGSA-N 1 1 378.519 5.585 40 0 GKABMO COc1ccc2[nH]c(C[NH2+][C@@H](Cc3ccsc3)c3nc(C)cs3)c(C)c2c1 ZINC000019240211 570968806 /nfs/dbraw/zinc/96/88/06/570968806.db2.gz XGIDYKBCKGYXIE-IBGZPJMESA-N 1 1 397.569 5.385 40 0 GKABMO CCOc1ccc([C@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)cc1 ZINC000019532665 570999314 /nfs/dbraw/zinc/99/93/14/570999314.db2.gz GGTKCUJOSDLTRD-HRAATJIYSA-N 1 1 379.504 5.006 40 0 GKABMO Cc1c(C[N@H+](Cc2ccccc2)Cc2cccc(C)n2)c(-c2ccccc2)nn1C ZINC000019662907 571026456 /nfs/dbraw/zinc/02/64/56/571026456.db2.gz OGGYMGJGKLUJKZ-UHFFFAOYSA-N 1 1 396.538 5.301 40 0 GKABMO Cc1c(C[N@@H+](Cc2ccccc2)Cc2cccc(C)n2)c(-c2ccccc2)nn1C ZINC000019662907 571026460 /nfs/dbraw/zinc/02/64/60/571026460.db2.gz OGGYMGJGKLUJKZ-UHFFFAOYSA-N 1 1 396.538 5.301 40 0 GKABMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)s1 ZINC000019691976 571029646 /nfs/dbraw/zinc/02/96/46/571029646.db2.gz WDHRUBROCGNKAQ-JOCHJYFZSA-N 1 1 397.975 5.736 40 0 GKABMO COc1ccc2[nH]c(C[NH2+][C@H](Cc3cccs3)c3nccs3)c(C)c2c1 ZINC000019565540 210265929 /nfs/dbraw/zinc/26/59/29/210265929.db2.gz CMVZGXKPTKGUBJ-GOSISDBHSA-N 1 1 383.542 5.077 40 0 GKABMO COc1ccc2[nH]c(C[NH2+][C@@H](Cc3ccsc3)c3nccs3)c(C)c2c1 ZINC000019565549 210265528 /nfs/dbraw/zinc/26/55/28/210265528.db2.gz ZHWLHUKQAMQHRV-SFHVURJKSA-N 1 1 383.542 5.077 40 0 GKABMO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)cc(C(F)F)c12 ZINC000019564349 210263029 /nfs/dbraw/zinc/26/30/29/210263029.db2.gz LZZMFSUUVBLELK-GFCCVEGCSA-N 1 1 393.384 5.127 40 0 GKABMO CCOc1ccc([C@@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)cc1 ZINC000019532663 210260224 /nfs/dbraw/zinc/26/02/24/210260224.db2.gz GGTKCUJOSDLTRD-IIBYNOLFSA-N 1 1 379.504 5.006 40 0 GKABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222963436 222620466 /nfs/dbraw/zinc/62/04/66/222620466.db2.gz WPLPAMTWDOZOPW-WOJBJXKFSA-N 1 1 390.571 5.288 40 0 GKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2cc(F)ccc2F)on1 ZINC000019120470 210224614 /nfs/dbraw/zinc/22/46/14/210224614.db2.gz BUJGPAIBXXOKFO-FDDCHVKYSA-N 1 1 397.469 5.070 40 0 GKABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257272709 222767986 /nfs/dbraw/zinc/76/79/86/222767986.db2.gz NDMMPSVORZWQOZ-QHCPKHFHSA-N 1 1 387.527 5.160 40 0 GKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216827485 212105708 /nfs/dbraw/zinc/10/57/08/212105708.db2.gz VMQPITGEQCTENP-GASCZTMLSA-N 1 1 399.332 6.020 40 0 GKABMO Cc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000008411726 212074930 /nfs/dbraw/zinc/07/49/30/212074930.db2.gz FLRYWCGHYSYVDC-UHFFFAOYSA-N 1 1 386.442 5.258 40 0 GKABMO Cc1cc(C)c(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C/c2ccccc2)c(C)c1 ZINC000002761112 212062681 /nfs/dbraw/zinc/06/26/81/212062681.db2.gz WJULBBBAYTUOPP-PUPDWEOMSA-N 1 1 389.539 5.477 40 0 GKABMO CC(C)n1cc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccs4)ccc23)cn1 ZINC000306123155 212042515 /nfs/dbraw/zinc/04/25/15/212042515.db2.gz AFVQAEKKLDYTHX-LJQANCHMSA-N 1 1 391.544 5.177 40 0 GKABMO CC(=O)OCC[N@@H+](C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000004980988 204100178 /nfs/dbraw/zinc/10/01/78/204100178.db2.gz BRHVDTJVVBPNCJ-OCCJOITDSA-N 1 1 375.597 5.328 40 0 GKABMO CC[NH+](CC)CCN[C@H](Cc1ccccc1)c1c(OC)ccc2ccccc21 ZINC000022871021 204791602 /nfs/dbraw/zinc/79/16/02/204791602.db2.gz VXBYQZLOAQYNKN-HSZRJFAPSA-N 1 1 376.544 5.064 40 0 GKABMO CC1(C)Cc2ccccc2CN1c1cc(NCc2ccccc2)[nH+]c(C2CC2)n1 ZINC000328958960 209153927 /nfs/dbraw/zinc/15/39/27/209153927.db2.gz ARHZLXFSZWFVRQ-UHFFFAOYSA-N 1 1 384.527 5.307 40 0 GKABMO CC1(C)Cc2ccccc2CN1c1cc(NCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000328958960 209153931 /nfs/dbraw/zinc/15/39/31/209153931.db2.gz ARHZLXFSZWFVRQ-UHFFFAOYSA-N 1 1 384.527 5.307 40 0 GKABMO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038835277 205039950 /nfs/dbraw/zinc/03/99/50/205039950.db2.gz MZYSZPSUMHJDSX-KRWDZBQOSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038835277 205039958 /nfs/dbraw/zinc/03/99/58/205039958.db2.gz MZYSZPSUMHJDSX-KRWDZBQOSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849495 205041166 /nfs/dbraw/zinc/04/11/66/205041166.db2.gz SPNBKJVYRBDDQT-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000038753949 205037772 /nfs/dbraw/zinc/03/77/72/205037772.db2.gz SYQMGNOHCMDGQT-UXHICEINSA-N 1 1 392.587 5.707 40 0 GKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000038833356 205039198 /nfs/dbraw/zinc/03/91/98/205039198.db2.gz QZEWXJYJDCKSLO-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO COc1cc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)cc(OC)c1OC ZINC000065090612 209136163 /nfs/dbraw/zinc/13/61/63/209136163.db2.gz YOPGPAVDWHNVSZ-UHFFFAOYSA-N 1 1 392.377 5.331 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000044937749 205090461 /nfs/dbraw/zinc/09/04/61/205090461.db2.gz AEWSOFCQGIDDSI-RUZDIDTESA-N 1 1 395.506 5.068 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000044938130 205091294 /nfs/dbraw/zinc/09/12/94/205091294.db2.gz IWQGXYJZUKIYQV-RUZDIDTESA-N 1 1 395.506 5.068 40 0 GKABMO c1csc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cccc4ncccc34)n2)n1 ZINC000072375740 205338045 /nfs/dbraw/zinc/33/80/45/205338045.db2.gz OBXXRQMJWOKCIB-FQEVSTJZSA-N 1 1 387.512 5.167 40 0 GKABMO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540552 206021458 /nfs/dbraw/zinc/02/14/58/206021458.db2.gz UPHYSABXYRAQBX-MRXNPFEDSA-N 1 1 399.406 5.538 40 0 GKABMO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542316 206022198 /nfs/dbraw/zinc/02/21/98/206022198.db2.gz FEFYKFIHALNFDA-UHFFFAOYSA-N 1 1 399.406 5.536 40 0 GKABMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225574777 206058828 /nfs/dbraw/zinc/05/88/28/206058828.db2.gz ZAGGLMHKQVEQLK-UHFFFAOYSA-N 1 1 388.914 5.453 40 0 GKABMO Clc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034086984 206100059 /nfs/dbraw/zinc/10/00/59/206100059.db2.gz JONOYXATECIXQY-ZCYQVOJMSA-N 1 1 390.958 5.488 40 0 GKABMO COc1ccc(CNc2cccc([C@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000257260849 206167287 /nfs/dbraw/zinc/16/72/87/206167287.db2.gz LESKYBZUDJXCFQ-FQEVSTJZSA-N 1 1 379.548 5.214 40 0 GKABMO c1csc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375355 211106055 /nfs/dbraw/zinc/10/60/55/211106055.db2.gz RKFRKBCYFYNFJS-FQEVSTJZSA-N 1 1 387.512 5.167 40 0 GKABMO Cc1cccc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375354 211105169 /nfs/dbraw/zinc/10/51/69/211105169.db2.gz GQIFVGDUWZNBKE-HSZRJFAPSA-N 1 1 395.510 5.414 40 0 GKABMO Clc1ccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348830 211094532 /nfs/dbraw/zinc/09/45/32/211094532.db2.gz OVLZWAZWZNBFIE-HXUWFJFHSA-N 1 1 377.919 5.100 40 0 GKABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358227 211098412 /nfs/dbraw/zinc/09/84/12/211098412.db2.gz JBAAZLVDNYWJPA-QFIPXVFZSA-N 1 1 392.934 5.100 40 0 GKABMO OCc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)n2)cc1 ZINC000072350438 211096896 /nfs/dbraw/zinc/09/68/96/211096896.db2.gz LFOLNHIZYYGBDR-HSZRJFAPSA-N 1 1 397.522 5.102 40 0 GKABMO Cc1ccc(C[N@H+](Cc2cccn2-c2cc(C)ccn2)Cc2ccncc2)cc1 ZINC000019210168 207106541 /nfs/dbraw/zinc/10/65/41/207106541.db2.gz FIEHBTMKDKEOTA-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO Cc1ccc(C[N@@H+](Cc2cccn2-c2cc(C)ccn2)Cc2ccncc2)cc1 ZINC000019210168 207106545 /nfs/dbraw/zinc/10/65/45/207106545.db2.gz FIEHBTMKDKEOTA-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000022510756 207255069 /nfs/dbraw/zinc/25/50/69/207255069.db2.gz WILAGABTXRVBGG-FQEVSTJZSA-N 1 1 399.947 5.021 40 0 GKABMO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030938186 207377401 /nfs/dbraw/zinc/37/74/01/207377401.db2.gz CSBGTWYLVQFRMK-HXUWFJFHSA-N 1 1 384.951 5.533 40 0 GKABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CC3CCCC3)c2)n1 ZINC000072372558 208006450 /nfs/dbraw/zinc/00/64/50/208006450.db2.gz BMJBBPODHAKSEO-IBGZPJMESA-N 1 1 384.549 5.142 40 0 GKABMO c1ccc(Nc2cccc([C@@H]3CCC[N@H+](Cc4cccc5ncccc45)C3)n2)nc1 ZINC000072376093 208009380 /nfs/dbraw/zinc/00/93/80/208009380.db2.gz HVBPJZYGNIEDCM-HXUWFJFHSA-N 1 1 395.510 5.148 40 0 GKABMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)cc1 ZINC000072380355 208011637 /nfs/dbraw/zinc/01/16/37/208011637.db2.gz WFKGAVIDTPPUDN-FQEVSTJZSA-N 1 1 386.474 5.144 40 0 GKABMO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000100765939 208382042 /nfs/dbraw/zinc/38/20/42/208382042.db2.gz HZEVDVGPBUFIAW-JKHIJQBDSA-N 1 1 385.498 5.866 40 0 in-vitro GKABMO CC(C)[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000229925473 209004515 /nfs/dbraw/zinc/00/45/15/209004515.db2.gz XANBEVHQLOSTKB-YYGZZXRFSA-N 1 1 385.551 5.965 40 0 GKABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)n1 ZINC000257243879 209059154 /nfs/dbraw/zinc/05/91/54/209059154.db2.gz IIYRLPXNHYIEED-INIZCTEOSA-N 1 1 399.897 5.211 40 0 GKABMO COc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1ccccc1F ZINC000008495697 221043337 /nfs/dbraw/zinc/04/33/37/221043337.db2.gz MQVXGIRNVHZTFR-UHFFFAOYSA-N 1 1 385.866 5.357 40 0 GKABMO Cc1ccc2cc(CNc3ccc([N@H+](C)C4CCCCC4)cc3)c(=O)[nH]c2c1 ZINC000012088327 221149772 /nfs/dbraw/zinc/14/97/72/221149772.db2.gz ATIGGUPGUIQMMO-UHFFFAOYSA-N 1 1 375.516 5.218 40 0 GKABMO Cc1ccc2cc(CNc3ccc([N@@H+](C)C4CCCCC4)cc3)c(=O)[nH]c2c1 ZINC000012088327 221149774 /nfs/dbraw/zinc/14/97/74/221149774.db2.gz ATIGGUPGUIQMMO-UHFFFAOYSA-N 1 1 375.516 5.218 40 0 GKABMO Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)o1 ZINC000012185730 221164098 /nfs/dbraw/zinc/16/40/98/221164098.db2.gz KZOYIJRMUZSWSO-IBGZPJMESA-N 1 1 380.444 5.089 40 0 GKABMO Cc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)o1 ZINC000012185730 221164099 /nfs/dbraw/zinc/16/40/99/221164099.db2.gz KZOYIJRMUZSWSO-IBGZPJMESA-N 1 1 380.444 5.089 40 0 GKABMO C[N@H+]1C[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000013635311 221278549 /nfs/dbraw/zinc/27/85/49/221278549.db2.gz JABONFOKZVPFLG-RPBOFIJWSA-N 1 1 379.503 5.572 40 0 GKABMO OC(c1ccccc1)(c1ccccc1)[C@H]1CC[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C1 ZINC000013799494 221289318 /nfs/dbraw/zinc/28/93/18/221289318.db2.gz XSLGPTMCZRXAJH-UCGXPXSYSA-N 1 1 383.535 5.191 40 0 GKABMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H](C)C1(O)Cc1ccccc1 ZINC000013756322 221287530 /nfs/dbraw/zinc/28/75/30/221287530.db2.gz XYXSWNLJRUZOJN-BAKRLXSVSA-N 1 1 385.551 5.660 40 0 GKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2F)on1 ZINC000019120484 221397472 /nfs/dbraw/zinc/39/74/72/221397472.db2.gz DCHYUNXNRCMZSS-FDDCHVKYSA-N 1 1 397.469 5.070 40 0 GKABMO Cc1cc(C)c2[nH]c(=O)c(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718285 136153886 /nfs/dbraw/zinc/15/38/86/136153886.db2.gz JAKUALHFHAQFEJ-HDICACEKSA-N 1 1 389.543 5.239 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000226329665 136192520 /nfs/dbraw/zinc/19/25/20/136192520.db2.gz GLCXUZZPEGBYPV-CALCHBBNSA-N 1 1 393.575 5.609 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000226329665 136192521 /nfs/dbraw/zinc/19/25/21/136192521.db2.gz GLCXUZZPEGBYPV-CALCHBBNSA-N 1 1 393.575 5.609 40 0 GKABMO Clc1ccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348870 222235149 /nfs/dbraw/zinc/23/51/49/222235149.db2.gz LXDCMKZKFOVOKG-HXUWFJFHSA-N 1 1 377.919 5.100 40 0 GKABMO Clc1ccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348960 222235344 /nfs/dbraw/zinc/23/53/44/222235344.db2.gz NIYHIITXCCPOLW-LJQANCHMSA-N 1 1 377.919 5.100 40 0 GKABMO FC(F)(F)c1cccc(-c2cccc([C@@H]3CCC[N@H+](C4CCOCC4)C3)n2)c1 ZINC000072350086 222236235 /nfs/dbraw/zinc/23/62/35/222236235.db2.gz YKSKVERHMOVARM-QGZVFWFLSA-N 1 1 390.449 5.126 40 0 GKABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072354562 222238008 /nfs/dbraw/zinc/23/80/08/222238008.db2.gz MFGFDXNEZYFKEE-LJQANCHMSA-N 1 1 398.432 5.082 40 0 GKABMO Fc1ccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000072359224 222238954 /nfs/dbraw/zinc/23/89/54/222238954.db2.gz FKJFPQDDQYXFBZ-FQEVSTJZSA-N 1 1 386.474 5.144 40 0 GKABMO FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000072358331 222240005 /nfs/dbraw/zinc/24/00/05/222240005.db2.gz HZYZHIUCWCPYOW-INIZCTEOSA-N 1 1 375.438 5.284 40 0 GKABMO Clc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)c1 ZINC000072380371 222243820 /nfs/dbraw/zinc/24/38/20/222243820.db2.gz HKQCKKDZOQNOLT-JOCHJYFZSA-N 1 1 388.902 5.615 40 0 GKABMO C[C@@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000096023482 222372285 /nfs/dbraw/zinc/37/22/85/222372285.db2.gz JVKYZPBMZPJNAJ-WBHRXQROSA-N 1 1 397.647 5.655 40 0 GKABMO CCCCC[N@H+]1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262947 570231372 /nfs/dbraw/zinc/23/13/72/570231372.db2.gz QWEVBZOSENOEGF-QGZVFWFLSA-N 1 1 382.939 5.419 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)C1 ZINC000020453156 570257661 /nfs/dbraw/zinc/25/76/61/570257661.db2.gz GWVUAIFWMLDYGR-OAQYLSRUSA-N 1 1 398.550 5.438 40 0 GKABMO C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000101121661 570281157 /nfs/dbraw/zinc/28/11/57/570281157.db2.gz NTQGEZJOMVFLMK-LVEBQJTPSA-N 1 1 375.487 5.468 40 0 GKABMO CCCCCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000020976464 570288515 /nfs/dbraw/zinc/28/85/15/570288515.db2.gz JOTNWWNKHIMFME-UHFFFAOYSA-N 1 1 399.966 5.181 40 0 GKABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000216190809 570297090 /nfs/dbraw/zinc/29/70/90/570297090.db2.gz SYQMGNOHCMDGQT-WOJBJXKFSA-N 1 1 392.587 5.707 40 0 GKABMO COC(c1ccccc1)(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[N@H+]1C1CCCCC1 ZINC000104135996 570298344 /nfs/dbraw/zinc/29/83/44/570298344.db2.gz JBAHSWIYXPCPOY-PNDVLSOFSA-N 1 1 397.562 6.335 40 0 GKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215627 570313713 /nfs/dbraw/zinc/31/37/13/570313713.db2.gz FYDGJCROILLXAT-HXUWFJFHSA-N 1 1 387.568 5.703 40 0 GKABMO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214524 570314569 /nfs/dbraw/zinc/31/45/69/570314569.db2.gz YOMSQCMNJGGLAC-FQEVSTJZSA-N 1 1 381.520 5.180 40 0 GKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072214580 570314747 /nfs/dbraw/zinc/31/47/47/570314747.db2.gz HAJKASUXVULYKG-HXUWFJFHSA-N 1 1 389.584 5.662 40 0 GKABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214607 570314883 /nfs/dbraw/zinc/31/48/83/570314883.db2.gz ADZULHKLTJBYAS-FQEVSTJZSA-N 1 1 381.520 5.180 40 0 GKABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214848 570314958 /nfs/dbraw/zinc/31/49/58/570314958.db2.gz KTCFOJUQAIFQAA-OAQYLSRUSA-N 1 1 395.547 5.569 40 0 GKABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214824 570315062 /nfs/dbraw/zinc/31/50/62/570315062.db2.gz VIPBNOKFHZFIND-NRFANRHFSA-N 1 1 395.547 5.570 40 0 GKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214578 570315098 /nfs/dbraw/zinc/31/50/98/570315098.db2.gz CWPVSFMUIIDUAZ-IBGZPJMESA-N 1 1 375.557 5.415 40 0 GKABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214645 570315105 /nfs/dbraw/zinc/31/51/05/570315105.db2.gz DEVNVXJSJKUVFS-OAQYLSRUSA-N 1 1 395.547 5.570 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072215154 570315223 /nfs/dbraw/zinc/31/52/23/570315223.db2.gz FYSDTSBIVHZWDT-PKOBYXMFSA-N 1 1 375.557 5.557 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CCCC ZINC000072215043 570315342 /nfs/dbraw/zinc/31/53/42/570315342.db2.gz KTENESSMHFYKNM-LJQANCHMSA-N 1 1 375.557 5.560 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CCCC)cn1 ZINC000072214983 570315472 /nfs/dbraw/zinc/31/54/72/570315472.db2.gz AWDXUDIULIWJAP-LJQANCHMSA-N 1 1 375.557 5.560 40 0 GKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215126 570315477 /nfs/dbraw/zinc/31/54/77/570315477.db2.gz FZDRVOARGHCRRW-HKUYNNGSSA-N 1 1 375.557 5.559 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CCCC)cn1 ZINC000072214984 570315486 /nfs/dbraw/zinc/31/54/86/570315486.db2.gz AWDXUDIULIWJAP-IBGZPJMESA-N 1 1 375.557 5.560 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072215060 570315507 /nfs/dbraw/zinc/31/55/07/570315507.db2.gz LQFJFUZKGPBYTC-FQEVSTJZSA-N 1 1 389.584 5.806 40 0 GKABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215583 570315783 /nfs/dbraw/zinc/31/57/83/570315783.db2.gz JXACZEJKYAVPFT-FQEVSTJZSA-N 1 1 387.568 5.701 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215271 570315790 /nfs/dbraw/zinc/31/57/90/570315790.db2.gz IJIFHVIXKRFLBL-AZUAARDMSA-N 1 1 389.584 5.949 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072215267 570315806 /nfs/dbraw/zinc/31/58/06/570315806.db2.gz USZZUPMZZKFOGZ-QUCCMNQESA-N 1 1 389.584 5.805 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072215233 570315839 /nfs/dbraw/zinc/31/58/39/570315839.db2.gz KMIFNHOVBNKCGD-MJGOQNOKSA-N 1 1 375.557 5.415 40 0 GKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215465 570315899 /nfs/dbraw/zinc/31/58/99/570315899.db2.gz OXIBIYSZSDPVCR-FQEVSTJZSA-N 1 1 387.568 5.559 40 0 GKABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215802 570316448 /nfs/dbraw/zinc/31/64/48/570316448.db2.gz RUDIRUFWUXTTEB-FQEVSTJZSA-N 1 1 381.520 5.700 40 0 GKABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215741 570316487 /nfs/dbraw/zinc/31/64/87/570316487.db2.gz WYAUAIXFSUEJMM-HXUWFJFHSA-N 1 1 387.568 5.701 40 0 GKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215808 570316693 /nfs/dbraw/zinc/31/66/93/570316693.db2.gz BHJGWGZHZQHXHT-NRFANRHFSA-N 1 1 395.547 6.092 40 0 GKABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219250 570318192 /nfs/dbraw/zinc/31/81/92/570318192.db2.gz MTZGEKZBYDTTJX-QFIPXVFZSA-N 1 1 393.531 5.244 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)C1 ZINC000022516209 570319393 /nfs/dbraw/zinc/31/93/93/570319393.db2.gz XTPGQMBMLITVMU-AWEZNQCLSA-N 1 1 377.315 5.478 40 0 GKABMO CC(C)[N@H+]1CC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585262851 570320561 /nfs/dbraw/zinc/32/05/61/570320561.db2.gz LWIROSAINAPYRM-QGZVFWFLSA-N 1 1 396.535 5.361 40 0 GKABMO CCN(CC)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022075817 570321614 /nfs/dbraw/zinc/32/16/14/570321614.db2.gz FQZVJFCGSWZQJS-UHFFFAOYSA-N 1 1 381.347 5.004 40 0 GKABMO CCN(CC)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022075805 570321666 /nfs/dbraw/zinc/32/16/66/570321666.db2.gz OMPICHRJKAETSP-UHFFFAOYSA-N 1 1 381.347 5.004 40 0 GKABMO CCN(CC)CC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022075229 570321734 /nfs/dbraw/zinc/32/17/34/570321734.db2.gz JZXRGXKKJRVTKY-UHFFFAOYSA-N 1 1 396.962 5.504 40 0 GKABMO Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044905750 570322625 /nfs/dbraw/zinc/32/26/25/570322625.db2.gz BMEZBAFJWSWZDW-ICSRJNTNSA-N 1 1 384.951 5.046 40 0 GKABMO CC[NH+](CC)CCC[C@@H](C)Nc1cc(-c2ccccc2)nc2cc(OC)ccc21 ZINC000003594576 570348485 /nfs/dbraw/zinc/34/84/85/570348485.db2.gz BZGJTNMHBWLFNW-LJQANCHMSA-N 1 1 391.559 5.833 40 0 GKABMO C[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375784 570372120 /nfs/dbraw/zinc/37/21/20/570372120.db2.gz NTQGEZJOMVFLMK-URPHZZJISA-N 1 1 375.487 5.468 40 0 GKABMO CCCOc1ccc(/C(=C\C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934887 570418624 /nfs/dbraw/zinc/41/86/24/570418624.db2.gz CCSKXBHTRMLWPQ-XAWVIIIXSA-N 1 1 375.556 6.029 40 0 GKABMO C[C@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118917270 570422519 /nfs/dbraw/zinc/42/25/19/570422519.db2.gz JVKYZPBMZPJNAJ-JVSYKBKBSA-N 1 1 397.647 5.655 40 0 GKABMO O=C(NCc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222813504 570427084 /nfs/dbraw/zinc/42/70/84/570427084.db2.gz PLEGMWXGZOAMCJ-JOCHJYFZSA-N 1 1 392.930 5.022 40 0 GKABMO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222889781 570430262 /nfs/dbraw/zinc/43/02/62/570430262.db2.gz HTFWUPVOLRVGEM-OAQYLSRUSA-N 1 1 392.930 5.022 40 0 GKABMO CCCC[C@@H](CC)C[C@@H](CC)C[N@H+](CCO)C[C@@H](CC)C[C@@H](CC)CCCC ZINC000005298570 570433654 /nfs/dbraw/zinc/43/36/54/570433654.db2.gz BZWSJGSYMPLHGS-POYMRFPPSA-N 1 1 397.732 7.546 40 0 GKABMO Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000039379286 570444862 /nfs/dbraw/zinc/44/48/62/570444862.db2.gz ZFUKNBSEZKFFID-DEOSSOPVSA-N 1 1 389.926 6.021 40 0 GKABMO Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000039379286 570444864 /nfs/dbraw/zinc/44/48/64/570444864.db2.gz ZFUKNBSEZKFFID-DEOSSOPVSA-N 1 1 389.926 6.021 40 0 GKABMO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220689 570452628 /nfs/dbraw/zinc/45/26/28/570452628.db2.gz PPMNAZBZKZOOGX-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220924 570452666 /nfs/dbraw/zinc/45/26/66/570452666.db2.gz GFVHAXJDPCZWTP-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220411 570452815 /nfs/dbraw/zinc/45/28/15/570452815.db2.gz ZYDHNFVMWDMPNL-FQEVSTJZSA-N 1 1 384.951 5.533 40 0 GKABMO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220408 570452836 /nfs/dbraw/zinc/45/28/36/570452836.db2.gz ZYDHNFVMWDMPNL-HXUWFJFHSA-N 1 1 384.951 5.533 40 0 GKABMO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000035289773 570455310 /nfs/dbraw/zinc/45/53/10/570455310.db2.gz ZNAUKODTZWVNAR-SEJPIABJSA-N 1 1 397.563 5.006 40 0 GKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030938665 570501279 /nfs/dbraw/zinc/50/12/79/570501279.db2.gz DGMJHJREIJGBQG-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030938188 570501572 /nfs/dbraw/zinc/50/15/72/570501572.db2.gz CSBGTWYLVQFRMK-FQEVSTJZSA-N 1 1 384.951 5.533 40 0 GKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030945414 570501988 /nfs/dbraw/zinc/50/19/88/570501988.db2.gz BNDNJIRQOCSJHP-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO Clc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000034086996 570557513 /nfs/dbraw/zinc/55/75/13/570557513.db2.gz LAOLCJGKLQTEKP-DQEYMECFSA-N 1 1 390.958 5.488 40 0 GKABMO Clc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000034086996 570557517 /nfs/dbraw/zinc/55/75/17/570557517.db2.gz LAOLCJGKLQTEKP-DQEYMECFSA-N 1 1 390.958 5.488 40 0 GKABMO Clc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000034086996 570557521 /nfs/dbraw/zinc/55/75/21/570557521.db2.gz LAOLCJGKLQTEKP-DQEYMECFSA-N 1 1 390.958 5.488 40 0 GKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(C)c1 ZINC000225534225 570585013 /nfs/dbraw/zinc/58/50/13/570585013.db2.gz NFDMWMPGEGJYFV-JPYJTQIMSA-N 1 1 394.559 5.117 40 0 GKABMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833464 570585062 /nfs/dbraw/zinc/58/50/62/570585062.db2.gz SILLMWMJRFUQAB-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833464 570585063 /nfs/dbraw/zinc/58/50/63/570585063.db2.gz SILLMWMJRFUQAB-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000038833357 570585284 /nfs/dbraw/zinc/58/52/84/570585284.db2.gz UKAOOOCDKLWFGL-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000038833116 570585305 /nfs/dbraw/zinc/58/53/05/570585305.db2.gz LNLJDWKBVVXKOD-UHFFFAOYSA-N 1 1 395.506 5.082 40 0 GKABMO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833528 570585317 /nfs/dbraw/zinc/58/53/17/570585317.db2.gz LCHGQLDLNKQMSL-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833528 570585320 /nfs/dbraw/zinc/58/53/20/570585320.db2.gz LCHGQLDLNKQMSL-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038833774 570585739 /nfs/dbraw/zinc/58/57/39/570585739.db2.gz PMHJCYVVXRFKLZ-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833762 570585764 /nfs/dbraw/zinc/58/57/64/570585764.db2.gz IATUZIVEAPMMRV-CYBMUJFWSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833762 570585766 /nfs/dbraw/zinc/58/57/66/570585766.db2.gz IATUZIVEAPMMRV-CYBMUJFWSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834051 570585801 /nfs/dbraw/zinc/58/58/01/570585801.db2.gz PKZOZDHWPBOHCM-LJQANCHMSA-N 1 1 378.903 5.344 40 0 GKABMO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038833834 570585934 /nfs/dbraw/zinc/58/59/34/570585934.db2.gz MOUKHHFVCFRUSH-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)C1 ZINC000038835567 570586305 /nfs/dbraw/zinc/58/63/05/570586305.db2.gz SZGGKDUPFUQGDS-AWEZNQCLSA-N 1 1 377.315 5.478 40 0 GKABMO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038835321 570586689 /nfs/dbraw/zinc/58/66/89/570586689.db2.gz AVYAAKVQPIEXNN-UHFFFAOYSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000038849663 570587826 /nfs/dbraw/zinc/58/78/26/570587826.db2.gz UBJNHDWSTLKBSW-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000038860483 570588807 /nfs/dbraw/zinc/58/88/07/570588807.db2.gz OVVSWYDLGPNPMA-OAHLLOKOSA-N 1 1 376.422 5.190 40 0 GKABMO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579819 570590929 /nfs/dbraw/zinc/59/09/29/570590929.db2.gz ZOBCTTZLAMESCU-UHFFFAOYSA-N 1 1 388.914 5.453 40 0 GKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccc(C)n3)on2)cc1 ZINC000012088741 570607293 /nfs/dbraw/zinc/60/72/93/570607293.db2.gz ITKJIEVMLLDIAR-JOCHJYFZSA-N 1 1 377.488 5.171 40 0 GKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccc(C)n3)no2)cc1 ZINC000012143939 570615172 /nfs/dbraw/zinc/61/51/72/570615172.db2.gz FQPWSXQFCJRBHE-JOCHJYFZSA-N 1 1 377.488 5.171 40 0 GKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccc(C)n3)no2)cc1 ZINC000012143939 570615176 /nfs/dbraw/zinc/61/51/76/570615176.db2.gz FQPWSXQFCJRBHE-JOCHJYFZSA-N 1 1 377.488 5.171 40 0 GKABMO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)o1 ZINC000012185726 570620315 /nfs/dbraw/zinc/62/03/15/570620315.db2.gz KZOYIJRMUZSWSO-LJQANCHMSA-N 1 1 380.444 5.089 40 0 GKABMO Cc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)o1 ZINC000012185726 570620319 /nfs/dbraw/zinc/62/03/19/570620319.db2.gz KZOYIJRMUZSWSO-LJQANCHMSA-N 1 1 380.444 5.089 40 0 GKABMO CCCCC[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)CCCC ZINC000004712854 570636367 /nfs/dbraw/zinc/63/63/67/570636367.db2.gz WEOCXFUEIUWOBH-HVWQDESWSA-N 1 1 393.615 6.922 40 0 GKABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000044856410 570636534 /nfs/dbraw/zinc/63/65/34/570636534.db2.gz DFQPVZVYTTUBIP-NRFANRHFSA-N 1 1 398.550 5.353 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 ZINC000044856113 570636639 /nfs/dbraw/zinc/63/66/39/570636639.db2.gz UUMKFISTNMMHTN-RUZDIDTESA-N 1 1 395.506 5.068 40 0 GKABMO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C ZINC000004857215 570638506 /nfs/dbraw/zinc/63/85/06/570638506.db2.gz FQBNDSJMJYUEHD-FRIKZZABSA-N 1 1 393.600 5.176 40 0 GKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000044906062 570641572 /nfs/dbraw/zinc/64/15/72/570641572.db2.gz HUOYBFMVBONZAO-GHTZIAJQSA-N 1 1 396.550 5.213 40 0 GKABMO Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044905746 570641635 /nfs/dbraw/zinc/64/16/35/570641635.db2.gz BMEZBAFJWSWZDW-AZUAARDMSA-N 1 1 384.951 5.046 40 0 GKABMO CC(C)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)cc1 ZINC000004883292 570642894 /nfs/dbraw/zinc/64/28/94/570642894.db2.gz UEUCDHQCMWKELY-SEJPIABJSA-N 1 1 397.588 5.579 40 0 GKABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000044935045 570643814 /nfs/dbraw/zinc/64/38/14/570643814.db2.gz GOKIVNUZCNTYBF-OAQYLSRUSA-N 1 1 398.550 5.353 40 0 GKABMO CC(C)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044936637 570644234 /nfs/dbraw/zinc/64/42/34/570644234.db2.gz OAYUPJZVXUAENB-FYYLOGMGSA-N 1 1 398.978 5.456 40 0 GKABMO CCSc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044938510 570644934 /nfs/dbraw/zinc/64/49/34/570644934.db2.gz YXZLIURYEXPDHR-QGZVFWFLSA-N 1 1 388.964 5.303 40 0 GKABMO c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1 ZINC000034086991 570647330 /nfs/dbraw/zinc/64/73/30/570647330.db2.gz SUPUOCXWGNFONI-UPRLRBBYSA-N 1 1 396.578 5.712 40 0 GKABMO c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1 ZINC000034086991 570647331 /nfs/dbraw/zinc/64/73/31/570647331.db2.gz SUPUOCXWGNFONI-UPRLRBBYSA-N 1 1 396.578 5.712 40 0 GKABMO CC(C)[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005002473 570652365 /nfs/dbraw/zinc/65/23/65/570652365.db2.gz XANBEVHQLOSTKB-NFGXINMFSA-N 1 1 385.551 5.965 40 0 GKABMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c(C)c1 ZINC000004966395 570653751 /nfs/dbraw/zinc/65/37/51/570653751.db2.gz HWZGCFIAVKYLJL-UHFFFAOYSA-N 1 1 393.556 5.040 40 0 GKABMO CC1=C[C@H](C)[C@H](CN2CC[N@@H+](C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325800 570925229 /nfs/dbraw/zinc/92/52/29/570925229.db2.gz VQHCAYWQEPUJSF-HKWQVNNCSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@H](C)[C@H](C[N@H+]2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325800 570925232 /nfs/dbraw/zinc/92/52/32/570925232.db2.gz VQHCAYWQEPUJSF-HKWQVNNCSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@H](C)[C@H](C[N@@H+]2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325800 570925235 /nfs/dbraw/zinc/92/52/35/570925235.db2.gz VQHCAYWQEPUJSF-HKWQVNNCSA-N 1 1 386.668 6.063 40 0 GKABMO C[NH+](C)CCCNc1cc(/C=C/c2cccc3ccccc23)nc2ccccc21 ZINC000017109705 570941680 /nfs/dbraw/zinc/94/16/80/570941680.db2.gz KNZPIACDSLJOOD-FOCLMDBBSA-N 1 1 381.523 5.922 40 0 GKABMO CCc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000036614395 570943035 /nfs/dbraw/zinc/94/30/35/570943035.db2.gz INNVAFCCUUWNAL-XWGVYQGASA-N 1 1 399.962 5.476 40 0 GKABMO C[NH+]1CCN(Cc2c(-c3ccccc3)c(-c3ccccc3)c3ccccn32)CC1 ZINC000019681892 570950917 /nfs/dbraw/zinc/95/09/17/570950917.db2.gz DNTUJNHBAUJIIH-UHFFFAOYSA-N 1 1 381.523 5.021 40 0 GKABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1CC1CCCCC1)c1ccccn1 ZINC000019081702 570956321 /nfs/dbraw/zinc/95/63/21/570956321.db2.gz OSGBAJHDRQKEEV-IFMALSPDSA-N 1 1 385.596 5.110 40 0 GKABMO c1ccc(Cn2c3ccccc3c3c2[C@@]2(c4ccccc4)CCC[N@H+]2CC3)cc1 ZINC000021963909 570961291 /nfs/dbraw/zinc/96/12/91/570961291.db2.gz VSWZVHRGFRBFBY-MHZLTWQESA-N 1 1 378.519 5.585 40 0 GKABMO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000019240209 570968840 /nfs/dbraw/zinc/96/88/40/570968840.db2.gz OIDFEKFYXIRQRP-GOSISDBHSA-N 1 1 385.533 5.515 40 0 GKABMO CC[C@@H](CO)[N@@H+](Cc1sccc1C)Cc1c2cccnc2[nH]c1C(C)(C)C ZINC000019500409 570992518 /nfs/dbraw/zinc/99/25/18/570992518.db2.gz DXLKTAIWKFMUMT-INIZCTEOSA-N 1 1 385.577 5.003 40 0 GKABMO COc1ccc(C[N@@H+](Cc2cccs2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554815 571002953 /nfs/dbraw/zinc/00/29/53/571002953.db2.gz OWDCGJPVXFZSQS-XZOQPEGZSA-N 1 1 397.515 5.081 40 0 GKABMO c1ccc(C[N@H+]2CC[C@@H](C3CCN(c4nc5ccccc5s4)CC3)C2)cc1 ZINC000095951698 571095509 /nfs/dbraw/zinc/09/55/09/571095509.db2.gz MQSWFIWXVDTWDY-HXUWFJFHSA-N 1 1 377.557 5.035 40 0 GKABMO C[C@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118940017 231024311 /nfs/dbraw/zinc/02/43/11/231024311.db2.gz DCQBOIHKCBTVFH-WODNVCPHSA-N 1 1 397.647 5.943 40 0 GKABMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118940016 231024105 /nfs/dbraw/zinc/02/41/05/231024105.db2.gz DCQBOIHKCBTVFH-FRPQECDISA-N 1 1 397.647 5.943 40 0 GKABMO Fc1cccc(C[N@@H+]2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)c1 ZINC000226307944 222705434 /nfs/dbraw/zinc/70/54/34/222705434.db2.gz GNPXLZJUWORQPT-UHFFFAOYSA-N 1 1 384.454 5.923 40 0 GKABMO CCCC[N@H+](Cc1ccccc1)C[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001644123 212252008 /nfs/dbraw/zinc/25/20/08/212252008.db2.gz DAZWNIDEGHHIEQ-MHZLTWQESA-N 1 1 387.567 6.054 40 0 GKABMO COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](CC1(c2ccccc2)CC1)CC3 ZINC000001601636 212249929 /nfs/dbraw/zinc/24/99/29/212249929.db2.gz KHHFVXIAEOEQSX-DFZDUAMZSA-N 1 1 387.567 5.485 40 0 GKABMO C[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000004375771 204042187 /nfs/dbraw/zinc/04/21/87/204042187.db2.gz FTGMSKYZJVDEFA-KDTOMHBFSA-N 1 1 389.514 5.714 40 0 GKABMO CC(C)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000006858889 204215829 /nfs/dbraw/zinc/21/58/29/204215829.db2.gz QLONPYZZJBOSEB-UHFFFAOYSA-N 1 1 390.918 6.199 40 0 GKABMO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccco2)cc1 ZINC000007523612 204242476 /nfs/dbraw/zinc/24/24/76/204242476.db2.gz OGQOHYDUWDHDMZ-UHFFFAOYSA-N 1 1 377.871 5.955 40 0 GKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccc(C)n3)no2)cc1 ZINC000012143938 204375208 /nfs/dbraw/zinc/37/52/08/204375208.db2.gz FQPWSXQFCJRBHE-QFIPXVFZSA-N 1 1 377.488 5.171 40 0 GKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccc(C)n3)no2)cc1 ZINC000012143938 204375212 /nfs/dbraw/zinc/37/52/12/204375212.db2.gz FQPWSXQFCJRBHE-QFIPXVFZSA-N 1 1 377.488 5.171 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000038835045 205039462 /nfs/dbraw/zinc/03/94/62/205039462.db2.gz HFHSXKGEYHHBIQ-AWEZNQCLSA-N 1 1 377.315 5.478 40 0 GKABMO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038833545 205039562 /nfs/dbraw/zinc/03/95/62/205039562.db2.gz LWQGJGHCDUUARG-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)C1 ZINC000038835564 205040969 /nfs/dbraw/zinc/04/09/69/205040969.db2.gz SZGGKDUPFUQGDS-CQSZACIVSA-N 1 1 377.315 5.478 40 0 GKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000038832828 205038182 /nfs/dbraw/zinc/03/81/82/205038182.db2.gz UPLQXPBRARMHKU-CRAIPNDOSA-N 1 1 391.342 5.083 40 0 GKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000038832828 205038187 /nfs/dbraw/zinc/03/81/87/205038187.db2.gz UPLQXPBRARMHKU-CRAIPNDOSA-N 1 1 391.342 5.083 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038833887 205038370 /nfs/dbraw/zinc/03/83/70/205038370.db2.gz OARPTWUXBAWWOX-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833225 205039284 /nfs/dbraw/zinc/03/92/84/205039284.db2.gz WOPNMIRAXVBOJA-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833225 205039286 /nfs/dbraw/zinc/03/92/86/205039286.db2.gz WOPNMIRAXVBOJA-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO CC(C)C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000044936988 205090449 /nfs/dbraw/zinc/09/04/49/205090449.db2.gz OIMZMXHIXJJLCX-YKSBVNFPSA-N 1 1 378.560 5.436 40 0 GKABMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934752 205091398 /nfs/dbraw/zinc/09/13/98/205091398.db2.gz ALHFAOPHNIFHSO-AZUAARDMSA-N 1 1 384.951 5.046 40 0 GKABMO Clc1ccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348871 205330911 /nfs/dbraw/zinc/33/09/11/205330911.db2.gz LXDCMKZKFOVOKG-FQEVSTJZSA-N 1 1 377.919 5.100 40 0 GKABMO c1cc(-c2nnc([C@H]3CCCC[N@H+]3Cc3ccnc4ccccc34)o2)cs1 ZINC000072390157 205341596 /nfs/dbraw/zinc/34/15/96/205341596.db2.gz NBVSCQQHHJUEII-LJQANCHMSA-N 1 1 376.485 5.074 40 0 GKABMO c1cc(-c2nnc([C@H]3CCCC[N@@H+]3Cc3ccnc4ccccc34)o2)cs1 ZINC000072390157 205341601 /nfs/dbraw/zinc/34/16/01/205341601.db2.gz NBVSCQQHHJUEII-LJQANCHMSA-N 1 1 376.485 5.074 40 0 GKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000219414839 211770779 /nfs/dbraw/zinc/77/07/79/211770779.db2.gz QVGBWLYMNXXRBZ-OAHLLOKOSA-N 1 1 391.342 5.083 40 0 GKABMO C[C@@H]1CC[NH+]=C(N(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)CC1 ZINC000027526048 206014338 /nfs/dbraw/zinc/01/43/38/206014338.db2.gz RKULPYWWANPDKN-HNNXBMFYSA-N 1 1 389.326 5.901 40 0 GKABMO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224537918 206022898 /nfs/dbraw/zinc/02/28/98/206022898.db2.gz RJVKQCJHKLOTJB-UHFFFAOYSA-N 1 1 399.406 5.536 40 0 GKABMO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577317 206058595 /nfs/dbraw/zinc/05/85/95/206058595.db2.gz LUBBLWAUYBSENF-UHFFFAOYSA-N 1 1 395.305 5.292 40 0 GKABMO Cc1cccc(C[N@H+]2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)c1 ZINC000257201189 206158379 /nfs/dbraw/zinc/15/83/79/206158379.db2.gz AGRPCNZVUIQDRC-NRFANRHFSA-N 1 1 392.493 5.639 40 0 GKABMO Cc1cc(N2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)nc(C)[nH+]1 ZINC000257244416 206165647 /nfs/dbraw/zinc/16/56/47/206165647.db2.gz ILFMSEMJRRPTJS-FQEVSTJZSA-N 1 1 392.934 5.117 40 0 GKABMO CC(C)C[N@@H+](Cc1cccc(F)c1)[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCCC[C@@H]21 ZINC000257246518 206167080 /nfs/dbraw/zinc/16/70/80/206167080.db2.gz IULGOQSZBVCWPU-RSYZFUPGSA-N 1 1 395.562 6.373 40 0 GKABMO Cc1cccc(N(CC(=O)c2ccc(Cl)c(Cl)c2)C2=[NH+]CCCCC2)c1 ZINC000008414512 206224683 /nfs/dbraw/zinc/22/46/83/206224683.db2.gz HTPQJSZKGLVZNF-UHFFFAOYSA-N 1 1 389.326 5.964 40 0 GKABMO CC[N@@H+](C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 ZINC000026780334 206253505 /nfs/dbraw/zinc/25/35/05/206253505.db2.gz TUQOGILPLXCTIJ-QFIPXVFZSA-N 1 1 389.624 5.795 40 0 GKABMO CC[NH+](CC)CCC[C@H](C)Nc1c(C)cnc2cccc(Br)c21 ZINC000001729625 206390758 /nfs/dbraw/zinc/39/07/58/206390758.db2.gz NMHISKBNOWSDED-HNNXBMFYSA-N 1 1 378.358 5.228 40 0 GKABMO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096214632 211320512 /nfs/dbraw/zinc/32/05/12/211320512.db2.gz AIHATYLWQGRURD-JOCHJYFZSA-N 1 1 383.923 5.003 40 0 GKABMO Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CC2CCCCC2)[nH+]1 ZINC000072372513 211103094 /nfs/dbraw/zinc/10/30/94/211103094.db2.gz CJWOFRLECUFQJU-LJQANCHMSA-N 1 1 384.549 5.224 40 0 GKABMO c1cc(-c2nnc([C@@H]3CCCC[N@H+]3Cc3ccnc4ccccc34)o2)cs1 ZINC000072390158 211107837 /nfs/dbraw/zinc/10/78/37/211107837.db2.gz NBVSCQQHHJUEII-IBGZPJMESA-N 1 1 376.485 5.074 40 0 GKABMO c1cc(-c2nnc([C@@H]3CCCC[N@@H+]3Cc3ccnc4ccccc34)o2)cs1 ZINC000072390158 211107839 /nfs/dbraw/zinc/10/78/39/211107839.db2.gz NBVSCQQHHJUEII-IBGZPJMESA-N 1 1 376.485 5.074 40 0 GKABMO c1ccc(Nc2cccc([C@@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072376041 211105270 /nfs/dbraw/zinc/10/52/70/211105270.db2.gz AYFXDHLDZMPMPH-OAQYLSRUSA-N 1 1 395.510 5.148 40 0 GKABMO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000072358330 211098823 /nfs/dbraw/zinc/09/88/23/211098823.db2.gz HZYZHIUCWCPYOW-MRXNPFEDSA-N 1 1 375.438 5.284 40 0 GKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 ZINC000072358109 211098630 /nfs/dbraw/zinc/09/86/30/211098630.db2.gz KIZFIDYXOQWWQU-AREMUKBSSA-N 1 1 399.538 5.276 40 0 GKABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3OC)n2)cc1 ZINC000072357534 211098306 /nfs/dbraw/zinc/09/83/06/211098306.db2.gz RZAVYUIVJGCCPJ-XMMPIXPASA-N 1 1 388.511 5.027 40 0 GKABMO c1csc(C[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)c2nccs2)c1 ZINC000019330904 207116066 /nfs/dbraw/zinc/11/60/66/207116066.db2.gz OOEYRLKJQZOTJU-HXUWFJFHSA-N 1 1 384.570 5.600 40 0 GKABMO COc1ccc2nc(C[NH2+][C@@H](Cc3cccs3)c3nc(C)cs3)ccc2c1 ZINC000019240089 207111033 /nfs/dbraw/zinc/11/10/33/207111033.db2.gz WEZLNELNQIKSDQ-FQEVSTJZSA-N 1 1 395.553 5.143 40 0 GKABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)c(C)n1 ZINC000019524544 207127916 /nfs/dbraw/zinc/12/79/16/207127916.db2.gz SXKAXVMUPZZEDV-OAQYLSRUSA-N 1 1 382.483 5.123 40 0 GKABMO CCn1ncc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)c1C ZINC000019523953 207128016 /nfs/dbraw/zinc/12/80/16/207128016.db2.gz BMYGCSBYNRXLEG-NRFANRHFSA-N 1 1 382.483 5.123 40 0 GKABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1 ZINC000019686998 207148476 /nfs/dbraw/zinc/14/84/76/207148476.db2.gz QQQBFQSAVWAPBD-VWLOTQADSA-N 1 1 388.559 5.151 40 0 GKABMO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000030944070 207377163 /nfs/dbraw/zinc/37/71/63/207377163.db2.gz MPPVYQZLPAAQBJ-UHFFFAOYSA-N 1 1 397.390 5.435 40 0 GKABMO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000030944065 207378673 /nfs/dbraw/zinc/37/86/73/207378673.db2.gz FXKGKZSRZFUILP-UHFFFAOYSA-N 1 1 397.390 5.435 40 0 GKABMO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cn1 ZINC000072358212 208003832 /nfs/dbraw/zinc/00/38/32/208003832.db2.gz HMKWWUFXEKAFQY-JOCHJYFZSA-N 1 1 392.934 5.015 40 0 GKABMO CCc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cn1 ZINC000072358212 208003837 /nfs/dbraw/zinc/00/38/37/208003837.db2.gz HMKWWUFXEKAFQY-JOCHJYFZSA-N 1 1 392.934 5.015 40 0 GKABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375731 208009304 /nfs/dbraw/zinc/00/93/04/208009304.db2.gz OQFQNGUGHHEKPI-LJQANCHMSA-N 1 1 394.544 5.244 40 0 GKABMO Fc1cccc(C[N@@H+]2C[C@H](c3cc(C(F)F)n[nH]3)[C@@H](c3ccccc3)C2)c1F ZINC000072389758 208013150 /nfs/dbraw/zinc/01/31/50/208013150.db2.gz HRNBRBYDOOCVIY-CVEARBPZSA-N 1 1 389.396 5.009 40 0 GKABMO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020491197 210341407 /nfs/dbraw/zinc/34/14/07/210341407.db2.gz RTXHIEOWWNRSIN-AREMUKBSSA-N 1 1 396.534 5.052 40 0 GKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000020112308 210318619 /nfs/dbraw/zinc/31/86/19/210318619.db2.gz SSROBHMFQPRJEP-XIEYBQDHSA-N 1 1 393.490 5.038 40 0 GKABMO Cc1c(Cl)cc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c(N)c1C ZINC000019577227 210268831 /nfs/dbraw/zinc/26/88/31/210268831.db2.gz FQQJXOQWJSTKBP-INIZCTEOSA-N 1 1 377.966 5.131 40 0 GKABMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)CCCC ZINC000229951422 209004130 /nfs/dbraw/zinc/00/41/30/209004130.db2.gz WEOCXFUEIUWOBH-WKAQUBQDSA-N 1 1 393.615 6.922 40 0 GKABMO CCCOc1ccc(/C(=C/C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000017378392 221384121 /nfs/dbraw/zinc/38/41/21/221384121.db2.gz CCSKXBHTRMLWPQ-BGTIHQIHSA-N 1 1 375.556 6.029 40 0 GKABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000257276133 209066586 /nfs/dbraw/zinc/06/65/86/209066586.db2.gz NSLOPCQNQKANQO-OAQYLSRUSA-N 1 1 386.499 5.214 40 0 GKABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)s1 ZINC000057774463 222036516 /nfs/dbraw/zinc/03/65/16/222036516.db2.gz UVOGFUPMJYGFQX-CYBMUJFWSA-N 1 1 395.450 5.300 40 0 GKABMO Clc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072348868 222234293 /nfs/dbraw/zinc/23/42/93/222234293.db2.gz LQJHQGUMXHBHEJ-FQEVSTJZSA-N 1 1 377.919 5.100 40 0 GKABMO Cc1cccnc1Nc1ccc([C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)nc1 ZINC000072353100 222237949 /nfs/dbraw/zinc/23/79/49/222237949.db2.gz GKWIBSVZUQSREJ-DEOSSOPVSA-N 1 1 395.510 5.414 40 0 GKABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1 ZINC000072370048 222240989 /nfs/dbraw/zinc/24/09/89/222240989.db2.gz PLENARUWAHMHBG-QHCPKHFHSA-N 1 1 378.495 5.140 40 0 GKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)C3CCCCC3)c2)s1 ZINC000072372511 222243279 /nfs/dbraw/zinc/24/32/79/222243279.db2.gz SDXDVGCUBUBRAS-LJQANCHMSA-N 1 1 384.549 5.142 40 0 GKABMO c1ccc(CN2CCC[C@@]3(CCC[N@H+]3Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000096214655 570219557 /nfs/dbraw/zinc/21/95/57/570219557.db2.gz GUOVSFRAHPIGRV-MUUNZHRXSA-N 1 1 396.578 5.984 40 0 GKABMO c1ccc(C[N@H+]2CCC[C@@]3(CCCN3Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000096214655 570219558 /nfs/dbraw/zinc/21/95/58/570219558.db2.gz GUOVSFRAHPIGRV-MUUNZHRXSA-N 1 1 396.578 5.984 40 0 GKABMO c1ccc(C[N@@H+]2CCC[C@@]3(CCCN3Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000096214655 570219560 /nfs/dbraw/zinc/21/95/60/570219560.db2.gz GUOVSFRAHPIGRV-MUUNZHRXSA-N 1 1 396.578 5.984 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000020107947 570239949 /nfs/dbraw/zinc/23/99/49/570239949.db2.gz PIWXYZCNAVKZIQ-AWEZNQCLSA-N 1 1 377.315 5.478 40 0 GKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000020108405 570240275 /nfs/dbraw/zinc/24/02/75/570240275.db2.gz XAINIDNRLLGJCR-UHFFFAOYSA-N 1 1 395.506 5.019 40 0 GKABMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000005163628 570245983 /nfs/dbraw/zinc/24/59/83/570245983.db2.gz BUZOOTVRWDNERF-VJBMBRPKSA-N 1 1 385.935 5.217 40 0 GKABMO CC(C)c1ccc(CCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020451355 570257325 /nfs/dbraw/zinc/25/73/25/570257325.db2.gz SKPYPSXHVWXJPY-FQEVSTJZSA-N 1 1 378.560 5.014 40 0 GKABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020494936 570263717 /nfs/dbraw/zinc/26/37/17/570263717.db2.gz LPFXLMJUODRXGG-HXUWFJFHSA-N 1 1 384.523 5.044 40 0 GKABMO C[C@H]1C[N@@H+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)C(C)(C)C1 ZINC000001655423 570266811 /nfs/dbraw/zinc/26/68/11/570266811.db2.gz NZZKSTKUSIBDTM-MRXNPFEDSA-N 1 1 386.992 6.453 40 0 GKABMO CC1=C[C@@H](C)[C@H](CN2CC[N@@H+](C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677505 570291098 /nfs/dbraw/zinc/29/10/98/570291098.db2.gz VQHCAYWQEPUJSF-UPHKREHFSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@H](C[N@H+]2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677505 570291099 /nfs/dbraw/zinc/29/10/99/570291099.db2.gz VQHCAYWQEPUJSF-UPHKREHFSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677505 570291100 /nfs/dbraw/zinc/29/11/00/570291100.db2.gz VQHCAYWQEPUJSF-UPHKREHFSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@H](C)[C@@H](CN2CC[N@@H+](C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677506 570291178 /nfs/dbraw/zinc/29/11/78/570291178.db2.gz VQHCAYWQEPUJSF-JXOQFONFSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@H](C)[C@@H](C[N@H+]2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677506 570291180 /nfs/dbraw/zinc/29/11/80/570291180.db2.gz VQHCAYWQEPUJSF-JXOQFONFSA-N 1 1 386.668 6.063 40 0 GKABMO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677506 570291182 /nfs/dbraw/zinc/29/11/82/570291182.db2.gz VQHCAYWQEPUJSF-JXOQFONFSA-N 1 1 386.668 6.063 40 0 GKABMO CCc1ccc(N(CC(=O)c2ccc(OC)cc2F)C2=[NH+]CCCCC2)cc1 ZINC000006870961 570294363 /nfs/dbraw/zinc/29/43/63/570294363.db2.gz SAZPBPKNGJEWMS-UHFFFAOYSA-N 1 1 382.479 5.059 40 0 GKABMO c1c(-c2ccccc2)c2c(nc[nH+]c2NC2CCCCCC2)n1-c1ccccc1 ZINC000002714092 570295738 /nfs/dbraw/zinc/29/57/38/570295738.db2.gz KSLHGDWJCYHXNL-UHFFFAOYSA-N 1 1 382.511 6.222 40 0 GKABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215625 570313676 /nfs/dbraw/zinc/31/36/76/570313676.db2.gz JOSMZNDWXDHMTD-HXUWFJFHSA-N 1 1 387.568 5.559 40 0 GKABMO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214465 570314612 /nfs/dbraw/zinc/31/46/12/570314612.db2.gz UDDZBUWFCDFDDC-HXUWFJFHSA-N 1 1 381.520 5.180 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214582 570314802 /nfs/dbraw/zinc/31/48/02/570314802.db2.gz SASVGWMDBHJQCT-HXUWFJFHSA-N 1 1 389.584 5.806 40 0 GKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214576 570315002 /nfs/dbraw/zinc/31/50/02/570315002.db2.gz OAWNKUFBXOEPFZ-LJQANCHMSA-N 1 1 375.557 5.416 40 0 GKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072214760 570315013 /nfs/dbraw/zinc/31/50/13/570315013.db2.gz AZFUTLGXSPAJTI-IBGZPJMESA-N 1 1 375.557 5.416 40 0 GKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214728 570315032 /nfs/dbraw/zinc/31/50/32/570315032.db2.gz XKJOQVFCTQOCIG-OAQYLSRUSA-N 1 1 395.547 5.570 40 0 GKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214667 570315075 /nfs/dbraw/zinc/31/50/75/570315075.db2.gz NRUSYKIHDAGRIU-NRFANRHFSA-N 1 1 395.547 5.570 40 0 GKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215150 570315288 /nfs/dbraw/zinc/31/52/88/570315288.db2.gz XHNAJCRHCOEWQH-HKUYNNGSSA-N 1 1 375.557 5.559 40 0 GKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215125 570315334 /nfs/dbraw/zinc/31/53/34/570315334.db2.gz FZDRVOARGHCRRW-PKOBYXMFSA-N 1 1 375.557 5.559 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072215001 570315379 /nfs/dbraw/zinc/31/53/79/570315379.db2.gz BXUVKLMJSRFHRZ-HXUWFJFHSA-N 1 1 389.584 5.806 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072215151 570315492 /nfs/dbraw/zinc/31/54/92/570315492.db2.gz FYSDTSBIVHZWDT-MJGOQNOKSA-N 1 1 375.557 5.557 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072215061 570315545 /nfs/dbraw/zinc/31/55/45/570315545.db2.gz LQFJFUZKGPBYTC-HXUWFJFHSA-N 1 1 389.584 5.806 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072215266 570315793 /nfs/dbraw/zinc/31/57/93/570315793.db2.gz WHYSFGGFJLOLIP-PKOBYXMFSA-N 1 1 375.557 5.557 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072215234 570315803 /nfs/dbraw/zinc/31/58/03/570315803.db2.gz KMIFNHOVBNKCGD-HKUYNNGSSA-N 1 1 375.557 5.415 40 0 GKABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215582 570315820 /nfs/dbraw/zinc/31/58/20/570315820.db2.gz JXACZEJKYAVPFT-HXUWFJFHSA-N 1 1 387.568 5.701 40 0 GKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215237 570315834 /nfs/dbraw/zinc/31/58/34/570315834.db2.gz HEFNSROWNHATNS-PKOBYXMFSA-N 1 1 375.557 5.559 40 0 GKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215567 570316012 /nfs/dbraw/zinc/31/60/12/570316012.db2.gz AVUUJPOFFCNHIR-HXUWFJFHSA-N 1 1 387.568 5.703 40 0 GKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215821 570316459 /nfs/dbraw/zinc/31/64/59/570316459.db2.gz ADQPGMBIWIFYRJ-NRFANRHFSA-N 1 1 395.547 6.092 40 0 GKABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215818 570316512 /nfs/dbraw/zinc/31/65/12/570316512.db2.gz SSPPVEPSHCAYDD-HXUWFJFHSA-N 1 1 381.520 5.702 40 0 GKABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215882 570316966 /nfs/dbraw/zinc/31/69/66/570316966.db2.gz UEFJLMTWOBVMQX-OAQYLSRUSA-N 1 1 395.547 6.090 40 0 GKABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)CC2)N1CC1CCCCC1 ZINC000585100672 570319555 /nfs/dbraw/zinc/31/95/55/570319555.db2.gz SFJAPDKALJHMGI-AREMUKBSSA-N 1 1 394.603 5.103 40 0 GKABMO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072359225 570339408 /nfs/dbraw/zinc/33/94/08/570339408.db2.gz HXPBQKUYAJNPMC-LJQANCHMSA-N 1 1 386.474 5.144 40 0 GKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1C ZINC000219239281 570350268 /nfs/dbraw/zinc/35/02/68/570350268.db2.gz MSZPWDBPGZJXEE-DVECYGJZSA-N 1 1 378.560 5.416 40 0 GKABMO CC(C)c1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000219242773 570350442 /nfs/dbraw/zinc/35/04/42/570350442.db2.gz JLSAFRRQXORCGF-NRFANRHFSA-N 1 1 392.587 5.405 40 0 GKABMO CC(C)c1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000219242683 570350489 /nfs/dbraw/zinc/35/04/89/570350489.db2.gz JLSAFRRQXORCGF-OAQYLSRUSA-N 1 1 392.587 5.405 40 0 GKABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000219417487 570359673 /nfs/dbraw/zinc/35/96/73/570359673.db2.gz FXBYMNHNIAABFK-HNNXBMFYSA-N 1 1 391.342 5.083 40 0 GKABMO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000219420168 570359715 /nfs/dbraw/zinc/35/97/15/570359715.db2.gz OPPFSQKAKPZXLB-UHFFFAOYSA-N 1 1 395.374 5.212 40 0 GKABMO C[C@@H]1C[N@@H+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)C(C)(C)C1 ZINC000004366865 570371479 /nfs/dbraw/zinc/37/14/79/570371479.db2.gz NZZKSTKUSIBDTM-INIZCTEOSA-N 1 1 386.992 6.453 40 0 GKABMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000004375770 570372254 /nfs/dbraw/zinc/37/22/54/570372254.db2.gz FTGMSKYZJVDEFA-OTZYSICVSA-N 1 1 389.514 5.714 40 0 GKABMO Cc1ccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=[NH+]CCCCC2)cc1 ZINC000008411735 570378463 /nfs/dbraw/zinc/37/84/63/570378463.db2.gz WMMPYDMLXBZERK-UHFFFAOYSA-N 1 1 396.534 6.324 40 0 GKABMO Cc1ccc([C@](O)(c2ccccc2)[C@H]2[C@H](c3ccccc3)[N@H+]2C2CCCCC2)cc1 ZINC000004742962 570401484 /nfs/dbraw/zinc/40/14/84/570401484.db2.gz HRBNJDCFKNWDAL-JCDLHITASA-N 1 1 397.562 5.989 40 0 GKABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222963503 570433451 /nfs/dbraw/zinc/43/34/51/570433451.db2.gz WPLPAMTWDOZOPW-UXHICEINSA-N 1 1 390.571 5.288 40 0 GKABMO Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000039379287 570444782 /nfs/dbraw/zinc/44/47/82/570444782.db2.gz ZFUKNBSEZKFFID-XMMPIXPASA-N 1 1 389.926 6.021 40 0 GKABMO Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000039379287 570444784 /nfs/dbraw/zinc/44/47/84/570444784.db2.gz ZFUKNBSEZKFFID-XMMPIXPASA-N 1 1 389.926 6.021 40 0 GKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1Cl ZINC000039762419 570445856 /nfs/dbraw/zinc/44/58/56/570445856.db2.gz UJXUARIQUJMCFK-UHFFFAOYSA-N 1 1 395.305 5.292 40 0 GKABMO O=C(Nc1ccc2ccccc2c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039743502 570447070 /nfs/dbraw/zinc/44/70/70/570447070.db2.gz VVJXTLDGLUIPRD-UHFFFAOYSA-N 1 1 396.893 5.483 40 0 GKABMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039752466 570447483 /nfs/dbraw/zinc/44/74/83/570447483.db2.gz FLXODNOZOBBHJH-UHFFFAOYSA-N 1 1 388.914 5.453 40 0 GKABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000030758856 570495651 /nfs/dbraw/zinc/49/56/51/570495651.db2.gz YLZZLKCLFXQQLM-HXUWFJFHSA-N 1 1 399.947 5.021 40 0 GKABMO CN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000006871451 570497567 /nfs/dbraw/zinc/49/75/67/570497567.db2.gz HGBIOCFJNGEIED-UHFFFAOYSA-N 1 1 382.389 5.172 40 0 GKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030938676 570501400 /nfs/dbraw/zinc/50/14/00/570501400.db2.gz IRSWWURYGSNYJB-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544562 570517835 /nfs/dbraw/zinc/51/78/35/570517835.db2.gz GRKRTGWZDAGPAN-MRXNPFEDSA-N 1 1 399.406 5.538 40 0 GKABMO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542546 570517879 /nfs/dbraw/zinc/51/78/79/570517879.db2.gz BZXCMXALMGCDCE-MRXNPFEDSA-N 1 1 399.406 5.538 40 0 GKABMO COc1ccc(C[N@@H+](CCCn2ccnc2)Cc2c(C)oc3ccccc32)cc1 ZINC000036740172 570568439 /nfs/dbraw/zinc/56/84/39/570568439.db2.gz QJJHEPONVLJPCU-UHFFFAOYSA-N 1 1 389.499 5.039 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000038755072 570582354 /nfs/dbraw/zinc/58/23/54/570582354.db2.gz WCVBMQQPGAEYOP-HNNXBMFYSA-N 1 1 391.342 5.155 40 0 GKABMO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000038832827 570584564 /nfs/dbraw/zinc/58/45/64/570584564.db2.gz UPLQXPBRARMHKU-MAUKXSAKSA-N 1 1 391.342 5.083 40 0 GKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000038832827 570584566 /nfs/dbraw/zinc/58/45/66/570584566.db2.gz UPLQXPBRARMHKU-MAUKXSAKSA-N 1 1 391.342 5.083 40 0 GKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(C)c1 ZINC000225534187 570584927 /nfs/dbraw/zinc/58/49/27/570584927.db2.gz NFDMWMPGEGJYFV-WZONZLPQSA-N 1 1 394.559 5.117 40 0 GKABMO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833532 570585115 /nfs/dbraw/zinc/58/51/15/570585115.db2.gz NQZVJUAFBSOHPT-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833532 570585116 /nfs/dbraw/zinc/58/51/16/570585116.db2.gz NQZVJUAFBSOHPT-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000038833592 570585184 /nfs/dbraw/zinc/58/51/84/570585184.db2.gz SJLBFNQOLSWEEU-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000038833592 570585188 /nfs/dbraw/zinc/58/51/88/570585188.db2.gz SJLBFNQOLSWEEU-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833651 570585242 /nfs/dbraw/zinc/58/52/42/570585242.db2.gz FXILGFGDFQTEBT-INIZCTEOSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833651 570585244 /nfs/dbraw/zinc/58/52/44/570585244.db2.gz FXILGFGDFQTEBT-INIZCTEOSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000038833607 570585282 /nfs/dbraw/zinc/58/52/82/570585282.db2.gz KPGDJFRYOOLWQC-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038833481 570585373 /nfs/dbraw/zinc/58/53/73/570585373.db2.gz JTGKEKBVAYJSLQ-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834052 570585628 /nfs/dbraw/zinc/58/56/28/570585628.db2.gz PKZOZDHWPBOHCM-IBGZPJMESA-N 1 1 378.903 5.344 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038833888 570585668 /nfs/dbraw/zinc/58/56/68/570585668.db2.gz PDUXRWREIGROOC-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834693 570585889 /nfs/dbraw/zinc/58/58/89/570585889.db2.gz WLQUECISZADRKY-HNNXBMFYSA-N 1 1 396.840 5.210 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833870 570585957 /nfs/dbraw/zinc/58/59/57/570585957.db2.gz YECZXATXWUCUJJ-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833870 570585958 /nfs/dbraw/zinc/58/59/58/570585958.db2.gz YECZXATXWUCUJJ-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834694 570585979 /nfs/dbraw/zinc/58/59/79/570585979.db2.gz WLQUECISZADRKY-OAHLLOKOSA-N 1 1 396.840 5.210 40 0 GKABMO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000038835201 570586356 /nfs/dbraw/zinc/58/63/56/570586356.db2.gz DXYIEJPGUHKGME-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038835323 570586388 /nfs/dbraw/zinc/58/63/88/570586388.db2.gz LEUBCDBTQXELOG-UHFFFAOYSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038835285 570586680 /nfs/dbraw/zinc/58/66/80/570586680.db2.gz TXSTVJGOEVPPIU-MRXNPFEDSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038835285 570586681 /nfs/dbraw/zinc/58/66/81/570586681.db2.gz TXSTVJGOEVPPIU-MRXNPFEDSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849551 570587459 /nfs/dbraw/zinc/58/74/59/570587459.db2.gz ZBZRHVQYSPZUQW-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849782 570587477 /nfs/dbraw/zinc/58/74/77/570587477.db2.gz SWQZDQLFMBHTHW-HNNXBMFYSA-N 1 1 396.840 5.210 40 0 GKABMO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849552 570587735 /nfs/dbraw/zinc/58/77/35/570587735.db2.gz ZBZRHVQYSPZUQW-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000038860487 570588840 /nfs/dbraw/zinc/58/88/40/570588840.db2.gz OVVSWYDLGPNPMA-HNNXBMFYSA-N 1 1 376.422 5.190 40 0 GKABMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578845 570590266 /nfs/dbraw/zinc/59/02/66/570590266.db2.gz HRVNSKIQZIQNSL-UHFFFAOYSA-N 1 1 399.268 5.122 40 0 GKABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([N@H+](C)C4CCCCC4)cc3)cc2c1 ZINC000012088328 570606548 /nfs/dbraw/zinc/60/65/48/570606548.db2.gz OWJKMJKVSLRJJM-UHFFFAOYSA-N 1 1 375.516 5.218 40 0 GKABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+](C)C4CCCCC4)cc3)cc2c1 ZINC000012088328 570606552 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GKABMO Cc1cc2cc(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2cc1C ZINC000057718322 136153892 /nfs/dbraw/zinc/15/38/92/136153892.db2.gz FFZWFGHYDASNPY-CALCHBBNSA-N 1 1 389.543 5.239 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@@H+]1CCC[C@@H](C)C1 ZINC000226329690 136192528 /nfs/dbraw/zinc/19/25/28/136192528.db2.gz TXBOSBVQJQFLRK-MRXNPFEDSA-N 1 1 379.548 5.363 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@H+]1CCC[C@@H](C)C1 ZINC000226329690 136192529 /nfs/dbraw/zinc/19/25/29/136192529.db2.gz TXBOSBVQJQFLRK-MRXNPFEDSA-N 1 1 379.548 5.363 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N@@H+]1CCC[C@@H](C)C1 ZINC000226330925 136192814 /nfs/dbraw/zinc/19/28/14/136192814.db2.gz QXJCYYOTHGGAGB-GFCCVEGCSA-N 1 1 392.330 5.373 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N@H+]1CCC[C@@H](C)C1 ZINC000226330925 136192815 /nfs/dbraw/zinc/19/28/15/136192815.db2.gz QXJCYYOTHGGAGB-GFCCVEGCSA-N 1 1 392.330 5.373 40 0 GKABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358226 222239488 /nfs/dbraw/zinc/23/94/88/222239488.db2.gz JBAAZLVDNYWJPA-JOCHJYFZSA-N 1 1 392.934 5.100 40 0 GKABMO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000096071370 222377335 /nfs/dbraw/zinc/37/73/35/222377335.db2.gz WMLMAIFNLNJFBZ-QFIPXVFZSA-N 1 1 383.923 5.003 40 0 GKABMO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000096214624 222398616 /nfs/dbraw/zinc/39/86/16/222398616.db2.gz NGUHJQYADNCEEH-JOCHJYFZSA-N 1 1 383.923 5.003 40 0 GKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000020455730 570259031 /nfs/dbraw/zinc/25/90/31/570259031.db2.gz HSSNKOYKEQORSX-RUZDIDTESA-N 1 1 384.523 5.126 40 0 GKABMO c1ccc(-c2cc(Nc3ccc4c(c3)OCO4)c3cc4c(cc3[nH+]2)OCO4)cc1 ZINC000001580362 570265312 /nfs/dbraw/zinc/26/53/12/570265312.db2.gz MVYQJGYDADPPFA-UHFFFAOYSA-N 1 1 384.391 5.103 40 0 GKABMO COc1ccc2c(c1OC)[C@@H](C=C(c1ccccc1)c1ccccc1)C[N@H+](C)C2 ZINC000001624614 570266042 /nfs/dbraw/zinc/26/60/42/570266042.db2.gz BMBANZRNVKDGHZ-QFIPXVFZSA-N 1 1 385.507 5.365 40 0 GKABMO CC[NH+](CC)CCCNCc1cc(-c2ccccc2)nc2cc(Cl)ccc12 ZINC000001729527 570267684 /nfs/dbraw/zinc/26/76/84/570267684.db2.gz MYUSWQREYAXQNJ-UHFFFAOYSA-N 1 1 381.951 5.377 40 0 GKABMO CC(=O)OCC[N@@H+](C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000102146724 570287557 /nfs/dbraw/zinc/28/75/57/570287557.db2.gz BRHVDTJVVBPNCJ-IFQWMDHTSA-N 1 1 375.597 5.328 40 0 GKABMO C[C@H]1CCCC[N@H+]1Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000216840772 570308093 /nfs/dbraw/zinc/30/80/93/570308093.db2.gz MZTBXAWZXMFYAO-AWEZNQCLSA-N 1 1 385.305 5.632 40 0 GKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000216840969 570308119 /nfs/dbraw/zinc/30/81/19/570308119.db2.gz LXSFLXMVGPATHH-GASCZTMLSA-N 1 1 399.332 6.020 40 0 GKABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215642 570313720 /nfs/dbraw/zinc/31/37/20/570313720.db2.gz XNRDLSGYPAPHIK-HXUWFJFHSA-N 1 1 387.568 5.701 40 0 GKABMO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214464 570314551 /nfs/dbraw/zinc/31/45/51/570314551.db2.gz UDDZBUWFCDFDDC-FQEVSTJZSA-N 1 1 381.520 5.180 40 0 GKABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214825 570314784 /nfs/dbraw/zinc/31/47/84/570314784.db2.gz VIPBNOKFHZFIND-OAQYLSRUSA-N 1 1 395.547 5.570 40 0 GKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072214581 570314926 /nfs/dbraw/zinc/31/49/26/570314926.db2.gz HAJKASUXVULYKG-FQEVSTJZSA-N 1 1 389.584 5.662 40 0 GKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072214700 570315131 /nfs/dbraw/zinc/31/51/31/570315131.db2.gz OONSKRQXSXUCRW-IBGZPJMESA-N 1 1 375.557 5.416 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072215155 570315425 /nfs/dbraw/zinc/31/54/25/570315425.db2.gz GZNTUPIVEZVJFD-QUCCMNQESA-N 1 1 389.584 5.805 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072215157 570315449 /nfs/dbraw/zinc/31/54/49/570315449.db2.gz GZNTUPIVEZVJFD-UYAOXDASSA-N 1 1 389.584 5.805 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CCCC ZINC000072215044 570315468 /nfs/dbraw/zinc/31/54/68/570315468.db2.gz KTENESSMHFYKNM-IBGZPJMESA-N 1 1 375.557 5.560 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072215123 570315503 /nfs/dbraw/zinc/31/55/03/570315503.db2.gz LOZVOYSKTWJCLY-IEBWSBKVSA-N 1 1 375.557 5.415 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072215156 570315536 /nfs/dbraw/zinc/31/55/36/570315536.db2.gz GZNTUPIVEZVJFD-ICSRJNTNSA-N 1 1 389.584 5.805 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215159 570315799 /nfs/dbraw/zinc/31/57/99/570315799.db2.gz TYAIGBPBJVISGT-AZUAARDMSA-N 1 1 389.584 5.949 40 0 GKABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215566 570315811 /nfs/dbraw/zinc/31/58/11/570315811.db2.gz TWSQQJRYFDCKQM-FQEVSTJZSA-N 1 1 387.568 5.559 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072215268 570315906 /nfs/dbraw/zinc/31/59/06/570315906.db2.gz USZZUPMZZKFOGZ-ICSRJNTNSA-N 1 1 389.584 5.805 40 0 GKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000072215371 570315964 /nfs/dbraw/zinc/31/59/64/570315964.db2.gz RVQVYOCXSALNIF-NRFANRHFSA-N 1 1 393.531 5.323 40 0 GKABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215759 570316492 /nfs/dbraw/zinc/31/64/92/570316492.db2.gz FTEKJTVHUMHHDV-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215698 570316536 /nfs/dbraw/zinc/31/65/36/570316536.db2.gz YYEQDVZUODFLEU-HXUWFJFHSA-N 1 1 387.568 5.703 40 0 GKABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215819 570316661 /nfs/dbraw/zinc/31/66/61/570316661.db2.gz SSPPVEPSHCAYDD-FQEVSTJZSA-N 1 1 381.520 5.702 40 0 GKABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215881 570316840 /nfs/dbraw/zinc/31/68/40/570316840.db2.gz REDUNEXCKNNHNS-NRFANRHFSA-N 1 1 395.547 6.092 40 0 GKABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215883 570316928 /nfs/dbraw/zinc/31/69/28/570316928.db2.gz UEFJLMTWOBVMQX-NRFANRHFSA-N 1 1 395.547 6.090 40 0 GKABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215865 570317080 /nfs/dbraw/zinc/31/70/80/570317080.db2.gz HJSGVLMOQXKKGL-OAQYLSRUSA-N 1 1 395.547 5.948 40 0 GKABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219251 570318223 /nfs/dbraw/zinc/31/82/23/570318223.db2.gz MTZGEKZBYDTTJX-JOCHJYFZSA-N 1 1 393.531 5.244 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000022511749 570319031 /nfs/dbraw/zinc/31/90/31/570319031.db2.gz SEDNZHLAIYFKDB-OAHLLOKOSA-N 1 1 376.422 5.190 40 0 GKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000022516324 570319241 /nfs/dbraw/zinc/31/92/41/570319241.db2.gz PNMWXCWTOBQRGY-UHFFFAOYSA-N 1 1 381.435 5.010 40 0 GKABMO Cc1nc(C[N@H+]2CC[C@@H](Nc3cccc(F)c3)[C@@H](Cc3ccccc3)C2)cs1 ZINC000585262228 570320258 /nfs/dbraw/zinc/32/02/58/570320258.db2.gz LBWKZZNMFXXLMB-WMZHIEFXSA-N 1 1 395.547 5.136 40 0 GKABMO CC[NH+](CC)CCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022075076 570321187 /nfs/dbraw/zinc/32/11/87/570321187.db2.gz DXJIFSYQVJBMTN-UHFFFAOYSA-N 1 1 381.347 5.004 40 0 GKABMO CCN(CC)CC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022075220 570321750 /nfs/dbraw/zinc/32/17/50/570321750.db2.gz BKIKCLRBXHSNEI-UHFFFAOYSA-N 1 1 396.962 5.504 40 0 GKABMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934758 570322382 /nfs/dbraw/zinc/32/23/82/570322382.db2.gz ALHFAOPHNIFHSO-ICSRJNTNSA-N 1 1 384.951 5.046 40 0 GKABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935605 570322609 /nfs/dbraw/zinc/32/26/09/570322609.db2.gz NFACPVZLNYPVAJ-RBBKRZOGSA-N 1 1 384.951 5.128 40 0 GKABMO COc1cccc(-c2cncc([C@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)n2)c1 ZINC000072359867 570340020 /nfs/dbraw/zinc/34/00/20/570340020.db2.gz HQKUGLUKPSXISU-NRFANRHFSA-N 1 1 398.510 5.013 40 0 GKABMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4C[C@]5(C)C[C@H]4CC(C)(C)C5)[C@H]3C=C12 ZINC000004025469 570354791 /nfs/dbraw/zinc/35/47/91/570354791.db2.gz KOTBZCSHVIMQNP-IBPQUOIJSA-N 1 1 385.592 5.201 40 0 GKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000219414918 570359697 /nfs/dbraw/zinc/35/96/97/570359697.db2.gz QVGBWLYMNXXRBZ-HNNXBMFYSA-N 1 1 391.342 5.083 40 0 GKABMO Cc1ccc([C@@](O)(c2ccccc2)[C@@H]2[C@H](c3ccccc3)[N@H+]2C2CCCCC2)cc1 ZINC000004742960 570401279 /nfs/dbraw/zinc/40/12/79/570401279.db2.gz HRBNJDCFKNWDAL-QNKVVAGZSA-N 1 1 397.562 5.989 40 0 GKABMO C[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004785654 570405709 /nfs/dbraw/zinc/40/57/09/570405709.db2.gz XYXSWNLJRUZOJN-CYTDPQRLSA-N 1 1 385.551 5.660 40 0 GKABMO O=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC000004888138 570415634 /nfs/dbraw/zinc/41/56/34/570415634.db2.gz FZZWAXQFDSERES-SEJPIABJSA-N 1 1 383.923 5.047 40 0 GKABMO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000039757252 570448428 /nfs/dbraw/zinc/44/84/28/570448428.db2.gz KOUSZRKYPGOYCX-UHFFFAOYSA-N 1 1 388.914 5.255 40 0 GKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000005644249 570449961 /nfs/dbraw/zinc/44/99/61/570449961.db2.gz ZYHZTTAACGBZHZ-UHFFFAOYSA-N 1 1 399.966 5.032 40 0 GKABMO CC(C)(C)CC(C)(C)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223414629 570464899 /nfs/dbraw/zinc/46/48/99/570464899.db2.gz IRVYCKFOWNIVGR-UHFFFAOYSA-N 1 1 378.560 5.190 40 0 GKABMO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCCC2)c1 ZINC000035310751 570465770 /nfs/dbraw/zinc/46/57/70/570465770.db2.gz XHASUWKLWVZKOK-VCSGRIEYSA-N 1 1 385.621 5.308 40 0 GKABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000006870039 570497472 /nfs/dbraw/zinc/49/74/72/570497472.db2.gz ITJDOQBTCHWHFA-UHFFFAOYSA-N 1 1 382.389 5.538 40 0 GKABMO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000030938398 570501292 /nfs/dbraw/zinc/50/12/92/570501292.db2.gz JKINJGRTPKHSPZ-UHFFFAOYSA-N 1 1 399.268 5.122 40 0 GKABMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944025 570501355 /nfs/dbraw/zinc/50/13/55/570501355.db2.gz GVVRWUJFUGTMQE-KRWDZBQOSA-N 1 1 397.390 5.435 40 0 GKABMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944025 570501357 /nfs/dbraw/zinc/50/13/57/570501357.db2.gz GVVRWUJFUGTMQE-KRWDZBQOSA-N 1 1 397.390 5.435 40 0 GKABMO COC(c1ccccc1)(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@H+]1C1CCCCC1 ZINC000031719412 570505852 /nfs/dbraw/zinc/50/58/52/570505852.db2.gz JBAHSWIYXPCPOY-DARYULOESA-N 1 1 397.562 6.335 40 0 GKABMO CN(C)c1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCC2)cc1 ZINC000000904279 570515125 /nfs/dbraw/zinc/51/51/25/570515125.db2.gz DLFUPYNFRMZTAM-UHFFFAOYSA-N 1 1 399.336 5.184 40 0 GKABMO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224548985 570517538 /nfs/dbraw/zinc/51/75/38/570517538.db2.gz QNVPUCDFMROCQS-MRXNPFEDSA-N 1 1 382.951 5.024 40 0 GKABMO Cc1cccc(C)c1OCCCn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000035167743 570550166 /nfs/dbraw/zinc/55/01/66/570550166.db2.gz OBUWXEIXSPGARZ-UHFFFAOYSA-N 1 1 377.532 5.108 40 0 GKABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc3cccc(Cl)c3n2)o1 ZINC000036740293 570568600 /nfs/dbraw/zinc/56/86/00/570568600.db2.gz ZKNLXAARGCODIY-UHFFFAOYSA-N 1 1 394.906 5.079 40 0 GKABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000036740249 570568873 /nfs/dbraw/zinc/56/88/73/570568873.db2.gz ZCRQEUPWLWAKHA-UHFFFAOYSA-N 1 1 378.303 5.184 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833282 570585092 /nfs/dbraw/zinc/58/50/92/570585092.db2.gz DXCQLQYLVNMSAX-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833282 570585094 /nfs/dbraw/zinc/58/50/94/570585094.db2.gz DXCQLQYLVNMSAX-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833281 570585293 /nfs/dbraw/zinc/58/52/93/570585293.db2.gz DXCQLQYLVNMSAX-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833281 570585294 /nfs/dbraw/zinc/58/52/94/570585294.db2.gz DXCQLQYLVNMSAX-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833763 570585701 /nfs/dbraw/zinc/58/57/01/570585701.db2.gz IATUZIVEAPMMRV-ZDUSSCGKSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833763 570585704 /nfs/dbraw/zinc/58/57/04/570585704.db2.gz IATUZIVEAPMMRV-ZDUSSCGKSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833874 570585876 /nfs/dbraw/zinc/58/58/76/570585876.db2.gz WVGYXBLWBQGDQT-ZDUSSCGKSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833874 570585879 /nfs/dbraw/zinc/58/58/79/570585879.db2.gz WVGYXBLWBQGDQT-ZDUSSCGKSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834390 570585941 /nfs/dbraw/zinc/58/59/41/570585941.db2.gz MTCRHBKOMXRTHQ-OAQYLSRUSA-N 1 1 386.495 5.330 40 0 GKABMO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1C ZINC000038835200 570586538 /nfs/dbraw/zinc/58/65/38/570586538.db2.gz FNKIQXMBEWOUJA-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038835009 570586730 /nfs/dbraw/zinc/58/67/30/570586730.db2.gz HKAOFJHDWZMKBK-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038852393 570588242 /nfs/dbraw/zinc/58/82/42/570588242.db2.gz NLIWQGQCPFNMQW-SFHVURJKSA-N 1 1 395.374 5.212 40 0 GKABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038852393 570588244 /nfs/dbraw/zinc/58/82/44/570588244.db2.gz NLIWQGQCPFNMQW-SFHVURJKSA-N 1 1 395.374 5.212 40 0 GKABMO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000225621788 570595066 /nfs/dbraw/zinc/59/50/66/570595066.db2.gz SKQLQCMAIXROLD-HXUWFJFHSA-N 1 1 398.550 5.298 40 0 GKABMO CC(C)(C)c1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccc(F)cc3)CC1)O2 ZINC000225818431 570621166 /nfs/dbraw/zinc/62/11/66/570621166.db2.gz ZMSSLDCQRPBKHA-UHFFFAOYSA-N 1 1 381.491 5.123 40 0 GKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000044838959 570634512 /nfs/dbraw/zinc/63/45/12/570634512.db2.gz NDHLVMVXBFRTFQ-UHFFFAOYSA-N 1 1 381.435 5.010 40 0 GKABMO Fc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848489 570634648 /nfs/dbraw/zinc/63/46/48/570634648.db2.gz STKCXTVHXRLHBP-UHFFFAOYSA-N 1 1 395.821 5.135 40 0 GKABMO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044905911 570641794 /nfs/dbraw/zinc/64/17/94/570641794.db2.gz JDVSDBPVURATJN-NRFANRHFSA-N 1 1 398.550 5.353 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000044906142 570641977 /nfs/dbraw/zinc/64/19/77/570641977.db2.gz OLKLUZLIHAYVIQ-KRWDZBQOSA-N 1 1 375.516 5.028 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1 ZINC000044917311 570643324 /nfs/dbraw/zinc/64/33/24/570643324.db2.gz GDHHOXGYJFKXRS-LJQANCHMSA-N 1 1 392.543 5.492 40 0 GKABMO CC(C)[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005002470 570652321 /nfs/dbraw/zinc/65/23/21/570652321.db2.gz XANBEVHQLOSTKB-XUJYPJAKSA-N 1 1 385.551 5.965 40 0 GKABMO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)c1C ZINC000008829091 570683221 /nfs/dbraw/zinc/68/32/21/570683221.db2.gz ACWGGJWVAVVDSN-YQQQUEKLSA-N 1 1 399.629 5.237 40 0 GKABMO C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468150 570755694 /nfs/dbraw/zinc/75/56/94/570755694.db2.gz NTQGEZJOMVFLMK-PVUOONDNSA-N 1 1 375.487 5.468 40 0 GKABMO c1ccc(CC[N@@H+]2CCOc3nc4c(cccc4Cc4ccccc4)cc3C2)cc1 ZINC000013563828 570852160 /nfs/dbraw/zinc/85/21/60/570852160.db2.gz VKWPYRDPQJXQOP-UHFFFAOYSA-N 1 1 394.518 5.263 40 0 GKABMO c1ccc(CC[N@H+]2CCOc3nc4c(cccc4Cc4ccccc4)cc3C2)cc1 ZINC000013563828 570852165 /nfs/dbraw/zinc/85/21/65/570852165.db2.gz VKWPYRDPQJXQOP-UHFFFAOYSA-N 1 1 394.518 5.263 40 0 GKABMO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[N@@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000035973424 570865097 /nfs/dbraw/zinc/86/50/97/570865097.db2.gz HCSHPKOGUQHHSK-URXFXBBRSA-N 1 1 395.587 6.396 40 0 GKABMO CCOc1cc(C[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)c(C)cc1OC ZINC000013989414 570868414 /nfs/dbraw/zinc/86/84/14/570868414.db2.gz KJFSRQADHGJDLY-UHFFFAOYSA-N 1 1 390.527 5.308 40 0 GKABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c(C)n1 ZINC000019524553 570996458 /nfs/dbraw/zinc/99/64/58/570996458.db2.gz IEBZKZSXBMCASM-NRFANRHFSA-N 1 1 382.483 5.123 40 0 GKABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c(C)n1 ZINC000019524553 570996459 /nfs/dbraw/zinc/99/64/59/570996459.db2.gz IEBZKZSXBMCASM-NRFANRHFSA-N 1 1 382.483 5.123 40 0 GKABMO Cc1nc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(OC(C)C)cc2)sc1C ZINC000019559891 571004980 /nfs/dbraw/zinc/00/49/80/571004980.db2.gz AYQLXQUQJVXXLU-HXUWFJFHSA-N 1 1 386.586 5.682 40 0 GKABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cn1 ZINC000019692068 571029570 /nfs/dbraw/zinc/02/95/70/571029570.db2.gz VLESMFWDJZKASU-QHCPKHFHSA-N 1 1 394.950 5.188 40 0 GKABMO Cc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)s1 ZINC000019691975 571029804 /nfs/dbraw/zinc/02/98/04/571029804.db2.gz WDHRUBROCGNKAQ-QFIPXVFZSA-N 1 1 397.975 5.736 40 0 GKABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(C)n1 ZINC000019524552 210256370 /nfs/dbraw/zinc/25/63/70/210256370.db2.gz IEBZKZSXBMCASM-OAQYLSRUSA-N 1 1 382.483 5.123 40 0 GKABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(C)n1 ZINC000019524552 210256376 /nfs/dbraw/zinc/25/63/76/210256376.db2.gz IEBZKZSXBMCASM-OAQYLSRUSA-N 1 1 382.483 5.123 40 0 GKABMO C[C@@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000123211887 231025074 /nfs/dbraw/zinc/02/50/74/231025074.db2.gz DCQBOIHKCBTVFH-OWBFZDFVSA-N 1 1 397.647 5.943 40 0 GKABMO CC(C)[N@@H+](CCOc1ccccc1Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000001586352 209333370 /nfs/dbraw/zinc/33/33/70/209333370.db2.gz JYNROYWSNGVCPT-RUZDIDTESA-N 1 1 389.539 5.100 40 0 GKABMO CCC[C@@]1(CN2c3ccccc3Sc3ccc(Cl)cc32)CC[N@@H+](CC)C1 ZINC000001726495 212254424 /nfs/dbraw/zinc/25/44/24/212254424.db2.gz RNABUSFDZDWNAG-JOCHJYFZSA-N 1 1 386.992 6.455 40 0 GKABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000005151803 204115052 /nfs/dbraw/zinc/11/50/52/204115052.db2.gz BYWHFODVRVSDOY-PUHATCMVSA-N 1 1 385.935 5.217 40 0 GKABMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000005163801 204116443 /nfs/dbraw/zinc/11/64/43/204116443.db2.gz IFBKQBARPJGXJC-QDSKXPNFSA-N 1 1 383.507 5.093 40 0 GKABMO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCCC2)c1C ZINC000035292370 204157126 /nfs/dbraw/zinc/15/71/26/204157126.db2.gz QVIKRDCLLXFUFS-VCSGRIEYSA-N 1 1 385.621 5.308 40 0 GKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccc(C)n3)on2)cc1 ZINC000012088740 204371403 /nfs/dbraw/zinc/37/14/03/204371403.db2.gz ITKJIEVMLLDIAR-QFIPXVFZSA-N 1 1 377.488 5.171 40 0 GKABMO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575023 211906998 /nfs/dbraw/zinc/90/69/98/211906998.db2.gz LDHFCVNBQXTDTM-UHFFFAOYSA-N 1 1 396.893 5.483 40 0 GKABMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833467 205039470 /nfs/dbraw/zinc/03/94/70/205039470.db2.gz ZBSRULKAUBHLMV-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833467 205039473 /nfs/dbraw/zinc/03/94/73/205039473.db2.gz ZBSRULKAUBHLMV-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038833886 205039571 /nfs/dbraw/zinc/03/95/71/205039571.db2.gz WDNCEWORUOGZRC-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO CC(C)C(NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C(C)C ZINC000038849185 205039986 /nfs/dbraw/zinc/03/99/86/205039986.db2.gz KHBGSJKHMJREJE-UHFFFAOYSA-N 1 1 385.379 5.002 40 0 GKABMO Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038859850 205040742 /nfs/dbraw/zinc/04/07/42/205040742.db2.gz GYILZHBUMBPJKP-IBGZPJMESA-N 1 1 384.951 5.623 40 0 GKABMO CCc1cccc(CC)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038856182 205041077 /nfs/dbraw/zinc/04/10/77/205041077.db2.gz BMUWTNNAFSQBKE-HXUWFJFHSA-N 1 1 384.951 5.316 40 0 GKABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc(Cl)c2Cl)o1 ZINC000036740253 205022146 /nfs/dbraw/zinc/02/21/46/205022146.db2.gz FXZUMHDRNUSZRP-UHFFFAOYSA-N 1 1 378.303 5.184 40 0 GKABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccc(Cl)c2Cl)o1 ZINC000036740253 205022150 /nfs/dbraw/zinc/02/21/50/205022150.db2.gz FXZUMHDRNUSZRP-UHFFFAOYSA-N 1 1 378.303 5.184 40 0 GKABMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038833418 205039062 /nfs/dbraw/zinc/03/90/62/205039062.db2.gz OATBUQJBGROFJG-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000044935048 205090420 /nfs/dbraw/zinc/09/04/20/205090420.db2.gz GOKIVNUZCNTYBF-NRFANRHFSA-N 1 1 398.550 5.353 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000044938133 205091752 /nfs/dbraw/zinc/09/17/52/205091752.db2.gz IWQGXYJZUKIYQV-VWLOTQADSA-N 1 1 395.506 5.068 40 0 GKABMO Cc1cccnc1Nc1ccc([C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)nc1 ZINC000072353101 205331838 /nfs/dbraw/zinc/33/18/38/205331838.db2.gz GKWIBSVZUQSREJ-XMMPIXPASA-N 1 1 395.510 5.414 40 0 GKABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)CC3CCCC3)c2)n1 ZINC000072372559 205338264 /nfs/dbraw/zinc/33/82/64/205338264.db2.gz BMJBBPODHAKSEO-LJQANCHMSA-N 1 1 384.549 5.142 40 0 GKABMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)cc1 ZINC000072380356 205340100 /nfs/dbraw/zinc/34/01/00/205340100.db2.gz WFKGAVIDTPPUDN-HXUWFJFHSA-N 1 1 386.474 5.144 40 0 GKABMO CC[NH+](CC)CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022075512 205941580 /nfs/dbraw/zinc/94/15/80/205941580.db2.gz PGVLXVGIQJNWKO-UHFFFAOYSA-N 1 1 381.347 5.004 40 0 GKABMO Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C ZINC000223487849 206001645 /nfs/dbraw/zinc/00/16/45/206001645.db2.gz YTQKSPWJZPIAEK-PZJWPPBQSA-N 1 1 398.978 5.355 40 0 GKABMO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580917 206058052 /nfs/dbraw/zinc/05/80/52/206058052.db2.gz ZWOUNEZWCKQIBM-UHFFFAOYSA-N 1 1 392.927 5.052 40 0 GKABMO COc1ccc(CNc2cccc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000257260850 206167949 /nfs/dbraw/zinc/16/79/49/206167949.db2.gz LESKYBZUDJXCFQ-HXUWFJFHSA-N 1 1 379.548 5.214 40 0 GKABMO CC[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 ZINC000026780333 206253965 /nfs/dbraw/zinc/25/39/65/206253965.db2.gz TUQOGILPLXCTIJ-JOCHJYFZSA-N 1 1 389.624 5.795 40 0 GKABMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000028539649 206261716 /nfs/dbraw/zinc/26/17/16/206261716.db2.gz JALVTHFTYRPDMB-HRRTYWNUSA-N 1 1 399.663 5.735 40 0 GKABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nnn3cc(-c4cccc(F)c4)ccc23)cc1 ZINC000096156565 211314110 /nfs/dbraw/zinc/31/41/10/211314110.db2.gz QRDSGGFHTAIRRB-JOCHJYFZSA-N 1 1 386.474 5.181 40 0 GKABMO c1ccc(C[N@H+]2CC[C@H](C3CCN(c4nc5ccccc5s4)CC3)C2)cc1 ZINC000095951697 211285626 /nfs/dbraw/zinc/28/56/26/211285626.db2.gz MQSWFIWXVDTWDY-FQEVSTJZSA-N 1 1 377.557 5.035 40 0 GKABMO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000072359223 211101202 /nfs/dbraw/zinc/10/12/02/211101202.db2.gz FKJFPQDDQYXFBZ-HXUWFJFHSA-N 1 1 386.474 5.144 40 0 GKABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cc3cccc(OC)c3)n2)cc1 ZINC000072357533 211099081 /nfs/dbraw/zinc/09/90/81/211099081.db2.gz YOMDHWZRVOPJEB-VWLOTQADSA-N 1 1 388.511 5.027 40 0 GKABMO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1CC1CCCCC1)c1ccccn1 ZINC000019081700 207102316 /nfs/dbraw/zinc/10/23/16/207102316.db2.gz OSGBAJHDRQKEEV-IRLDBZIGSA-N 1 1 385.596 5.110 40 0 GKABMO Cc1ccc(C[N@H+](Cc2cccn2-c2cccc(C)n2)Cc2ccncc2)cc1 ZINC000019210173 207106741 /nfs/dbraw/zinc/10/67/41/207106741.db2.gz HRTXZZMUSVGJCU-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO Cc1ccc(C[N@@H+](Cc2cccn2-c2cccc(C)n2)Cc2ccncc2)cc1 ZINC000019210173 207106745 /nfs/dbraw/zinc/10/67/45/207106745.db2.gz HRTXZZMUSVGJCU-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000022510749 207255079 /nfs/dbraw/zinc/25/50/79/207255079.db2.gz WILAGABTXRVBGG-HXUWFJFHSA-N 1 1 399.947 5.021 40 0 GKABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000072372556 208004522 /nfs/dbraw/zinc/00/45/22/208004522.db2.gz CGJGPOIUQLPLAI-NRFANRHFSA-N 1 1 378.520 5.081 40 0 GKABMO Cc1cccc(N2C(=O)c3ccccc3[C@]2(c2ccccc2)[NH+]2CCCCC2)c1 ZINC000095934863 208240442 /nfs/dbraw/zinc/24/04/42/208240442.db2.gz FJXXERDPFBFNAF-AREMUKBSSA-N 1 1 382.507 5.342 40 0 GKABMO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000096214623 208286388 /nfs/dbraw/zinc/28/63/88/208286388.db2.gz NGUHJQYADNCEEH-QFIPXVFZSA-N 1 1 383.923 5.003 40 0 GKABMO COc1cccc(Cc2cc(C)nc([C@@H]3CCC[N@H+]3Cc3cnc(C)s3)c2)c1 ZINC000019691977 210282641 /nfs/dbraw/zinc/28/26/41/210282641.db2.gz YDADNWSUEWFBOI-QHCPKHFHSA-N 1 1 393.556 5.091 40 0 GKABMO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000016449711 221363968 /nfs/dbraw/zinc/36/39/68/221363968.db2.gz MWQGYCBHPVSCDM-UHFFFAOYSA-N 1 1 390.285 6.001 40 0 GKABMO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc12 ZINC000057718300 136153865 /nfs/dbraw/zinc/15/38/65/136153865.db2.gz MHLYIEOFRAMIOJ-CALCHBBNSA-N 1 1 389.543 5.239 40 0 GKABMO c1csc(C[N@H+](Cc2cccnc2)Cc2ccccc2N2CCCCC2)c1 ZINC000057797005 136154064 /nfs/dbraw/zinc/15/40/64/136154064.db2.gz GUVYUSAJXJAUQC-UHFFFAOYSA-N 1 1 377.557 5.336 40 0 GKABMO c1csc(C[N@@H+](Cc2cccnc2)Cc2ccccc2N2CCCCC2)c1 ZINC000057797005 136154065 /nfs/dbraw/zinc/15/40/65/136154065.db2.gz GUVYUSAJXJAUQC-UHFFFAOYSA-N 1 1 377.557 5.336 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000226329672 136192631 /nfs/dbraw/zinc/19/26/31/136192631.db2.gz GLCXUZZPEGBYPV-IAGOWNOFSA-N 1 1 393.575 5.609 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[N@@H+]1CCC[C@H](C)C1 ZINC000226330848 136192818 /nfs/dbraw/zinc/19/28/18/136192818.db2.gz DRLCPLFPLPLUKX-LBPRGKRZSA-N 1 1 392.330 5.373 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[N@H+]1CCC[C@H](C)C1 ZINC000226330848 136192819 /nfs/dbraw/zinc/19/28/19/136192819.db2.gz DRLCPLFPLPLUKX-LBPRGKRZSA-N 1 1 392.330 5.373 40 0 GKABMO OCc1ccccc1C[N@H+](Cc1cnn(C2CCCCC2)c1)Cc1ccccc1 ZINC000257312584 209074987 /nfs/dbraw/zinc/07/49/87/209074987.db2.gz UOQFHWYZQCBRSD-UHFFFAOYSA-N 1 1 389.543 5.083 40 0 GKABMO OCc1ccccc1C[N@@H+](Cc1cnn(C2CCCCC2)c1)Cc1ccccc1 ZINC000257312584 209074991 /nfs/dbraw/zinc/07/49/91/209074991.db2.gz UOQFHWYZQCBRSD-UHFFFAOYSA-N 1 1 389.543 5.083 40 0 GKABMO Clc1ccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348831 222234317 /nfs/dbraw/zinc/23/43/17/222234317.db2.gz OVLZWAZWZNBFIE-FQEVSTJZSA-N 1 1 377.919 5.100 40 0 GKABMO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072358163 222239009 /nfs/dbraw/zinc/23/90/09/222239009.db2.gz WYISXSMIIBZOEK-OAQYLSRUSA-N 1 1 390.449 5.007 40 0 GKABMO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357690 222239878 /nfs/dbraw/zinc/23/98/78/222239878.db2.gz QDSAPAYGHIORFN-JOCHJYFZSA-N 1 1 397.444 5.423 40 0 GKABMO Cc1cccc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375353 222242744 /nfs/dbraw/zinc/24/27/44/222242744.db2.gz GQIFVGDUWZNBKE-QHCPKHFHSA-N 1 1 395.510 5.414 40 0 GKABMO O=C1CC2=C[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@@H]2S1 ZINC000095708205 222359632 /nfs/dbraw/zinc/35/96/32/222359632.db2.gz XIFAJGMIPXJJEJ-DEOSSOPVSA-N 1 1 397.543 5.600 40 0 GKABMO O=C(c1ccccc1-c1ccccc1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408608975 534747171 /nfs/dbraw/zinc/74/71/71/534747171.db2.gz NHRXLNVMXYBAAI-DEOSSOPVSA-N 1 1 396.534 5.017 40 0 GKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCCCC4)C=C3C)[nH]c21 ZINC000077262175 560046731 /nfs/dbraw/zinc/04/67/31/560046731.db2.gz PEFKXCXWVYWTJH-FUDKSRODSA-N 1 1 393.619 6.191 40 0 biogenic,in-vitro GKABMO CC1CC[NH+](CC(=O)N2c3ccccc3Sc3cc4ccccc4cc32)CC1 ZINC000001705771 560184129 /nfs/dbraw/zinc/18/41/29/560184129.db2.gz AVLRLJQSDAFPBD-UHFFFAOYSA-N 1 1 388.536 5.701 40 0 in-vitro GKABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000005151794 570243032 /nfs/dbraw/zinc/24/30/32/570243032.db2.gz BYWHFODVRVSDOY-PMVMPFDFSA-N 1 1 385.935 5.217 40 0 GKABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020494940 570263917 /nfs/dbraw/zinc/26/39/17/570263917.db2.gz LPFXLMJUODRXGG-FQEVSTJZSA-N 1 1 384.523 5.044 40 0 GKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214881 570314903 /nfs/dbraw/zinc/31/49/03/570314903.db2.gz NKOMTUGBRZDLPM-IBGZPJMESA-N 1 1 375.557 5.415 40 0 GKABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214644 570314989 /nfs/dbraw/zinc/31/49/89/570314989.db2.gz DEVNVXJSJKUVFS-NRFANRHFSA-N 1 1 395.547 5.570 40 0 GKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215149 570315277 /nfs/dbraw/zinc/31/52/77/570315277.db2.gz XHNAJCRHCOEWQH-PKOBYXMFSA-N 1 1 375.557 5.559 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072215041 570315359 /nfs/dbraw/zinc/31/53/59/570315359.db2.gz RUNNERZIWNVLAN-IBGZPJMESA-N 1 1 375.557 5.416 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214943 570315480 /nfs/dbraw/zinc/31/54/80/570315480.db2.gz JYQLYNQTGXZVRB-IBGZPJMESA-N 1 1 375.557 5.559 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CCC)cn1 ZINC000072214996 570315497 /nfs/dbraw/zinc/31/54/97/570315497.db2.gz YDPCEZGLYMBEIH-IBGZPJMESA-N 1 1 375.557 5.560 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072215058 570315524 /nfs/dbraw/zinc/31/55/24/570315524.db2.gz KWUPSOLEGLESKP-IBGZPJMESA-N 1 1 375.557 5.559 40 0 GKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215580 570315757 /nfs/dbraw/zinc/31/57/57/570315757.db2.gz UORLYTLUZJUJOS-HXUWFJFHSA-N 1 1 387.568 5.703 40 0 GKABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215262 570315773 /nfs/dbraw/zinc/31/57/73/570315773.db2.gz BBPQBFQFULUFJU-HKUYNNGSSA-N 1 1 375.557 5.559 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215467 570315860 /nfs/dbraw/zinc/31/58/60/570315860.db2.gz LAIPOPSNDCCQTE-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215527 570315873 /nfs/dbraw/zinc/31/58/73/570315873.db2.gz JPFZUPSGKWYRFV-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072215264 570315921 /nfs/dbraw/zinc/31/59/21/570315921.db2.gz WHYSFGGFJLOLIP-HKUYNNGSSA-N 1 1 375.557 5.557 40 0 GKABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215806 570316456 /nfs/dbraw/zinc/31/64/56/570316456.db2.gz WVVDDFYXQSFXBT-NRFANRHFSA-N 1 1 395.547 5.948 40 0 GKABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215804 570316464 /nfs/dbraw/zinc/31/64/64/570316464.db2.gz HZIYZJAHEOFAPC-FQEVSTJZSA-N 1 1 381.520 5.702 40 0 GKABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215744 570316702 /nfs/dbraw/zinc/31/67/02/570316702.db2.gz BDPAOGILRIQFMA-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219311 570318068 /nfs/dbraw/zinc/31/80/68/570318068.db2.gz SRZUIPLWUCVWEZ-JOCHJYFZSA-N 1 1 393.531 5.244 40 0 GKABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219310 570318214 /nfs/dbraw/zinc/31/82/14/570318214.db2.gz SRZUIPLWUCVWEZ-QFIPXVFZSA-N 1 1 393.531 5.244 40 0 GKABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935602 570322620 /nfs/dbraw/zinc/32/26/20/570322620.db2.gz NFACPVZLNYPVAJ-UNMCSNQZSA-N 1 1 384.951 5.128 40 0 GKABMO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000113952094 570335698 /nfs/dbraw/zinc/33/56/98/570335698.db2.gz LTAVZRPWEVFHIL-UHFFFAOYSA-N 1 1 399.268 5.122 40 0 GKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000219417418 570359664 /nfs/dbraw/zinc/35/96/64/570359664.db2.gz FXBYMNHNIAABFK-OAHLLOKOSA-N 1 1 391.342 5.083 40 0 GKABMO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000219418832 570359713 /nfs/dbraw/zinc/35/97/13/570359713.db2.gz XYECYDSYNSQTOM-UHFFFAOYSA-N 1 1 395.374 5.212 40 0 GKABMO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219416277 570359798 /nfs/dbraw/zinc/35/97/98/570359798.db2.gz GGIUOHXWPKLBMJ-UHFFFAOYSA-N 1 1 395.374 5.212 40 0 GKABMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118917269 570367663 /nfs/dbraw/zinc/36/76/63/570367663.db2.gz JVKYZPBMZPJNAJ-WGVCLDRHSA-N 1 1 397.647 5.655 40 0 GKABMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118919207 570367676 /nfs/dbraw/zinc/36/76/76/570367676.db2.gz JALVTHFTYRPDMB-OGHDWJBXSA-N 1 1 399.663 5.735 40 0 in-man GKABMO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118919210 570367701 /nfs/dbraw/zinc/36/77/01/570367701.db2.gz JALVTHFTYRPDMB-VXPJTDKGSA-N 1 1 399.663 5.735 40 0 in-man GKABMO Fc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc1F ZINC000057773949 570373727 /nfs/dbraw/zinc/37/37/27/570373727.db2.gz ZPERQDUTUFAGRH-JKSUJKDBSA-N 1 1 389.396 5.009 40 0 GKABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000057774466 570373778 /nfs/dbraw/zinc/37/37/78/570373778.db2.gz HLXLYAKKZZYYOS-AWEZNQCLSA-N 1 1 393.384 5.069 40 0 GKABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537500 570382682 /nfs/dbraw/zinc/38/26/82/570382682.db2.gz IQLZCASNMJLIBW-WEHRJKGCSA-N 1 1 377.915 5.676 40 0 GKABMO CCCC[C@@H](CC)C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H](CC)CCCC ZINC000004792159 570406044 /nfs/dbraw/zinc/40/60/44/570406044.db2.gz UNCPULXBAXBGOC-IMSXRSKXSA-N 1 1 396.059 7.108 40 0 GKABMO CCCC[C@@H](CC)C[C@H](CC)C[N@H+](CCO)C[C@@H](CC)C[C@@H](CC)CCCC ZINC000005298578 570433639 /nfs/dbraw/zinc/43/36/39/570433639.db2.gz BZWSJGSYMPLHGS-QYOOZWMWSA-N 1 1 397.732 7.546 40 0 GKABMO CSc1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039773114 570446631 /nfs/dbraw/zinc/44/66/31/570446631.db2.gz CIRNWPXDWXFURY-UHFFFAOYSA-N 1 1 392.927 5.052 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028221049 570452858 /nfs/dbraw/zinc/45/28/58/570452858.db2.gz SLYVGIMHKHSJII-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035311820 570467194 /nfs/dbraw/zinc/46/71/94/570467194.db2.gz WGRQTJGEOFNLDQ-YQQQUEKLSA-N 1 1 399.991 5.212 40 0 GKABMO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000223458849 570467465 /nfs/dbraw/zinc/46/74/65/570467465.db2.gz MLBFKTYYLFBKAT-UTKZUKDTSA-N 1 1 378.560 5.335 40 0 GKABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000006870031 570497579 /nfs/dbraw/zinc/49/75/79/570497579.db2.gz VVDLJBNPAPSSHV-UHFFFAOYSA-N 1 1 393.288 5.282 40 0 GKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030941337 570501416 /nfs/dbraw/zinc/50/14/16/570501416.db2.gz KHFIPQGJYKPQEJ-OAQYLSRUSA-N 1 1 386.495 5.330 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000030941463 570501477 /nfs/dbraw/zinc/50/14/77/570501477.db2.gz CUDCWCSXMDPEHX-UHFFFAOYSA-N 1 1 383.451 5.284 40 0 GKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030938674 570501518 /nfs/dbraw/zinc/50/15/18/570501518.db2.gz IRSWWURYGSNYJB-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000031819624 570506610 /nfs/dbraw/zinc/50/66/10/570506610.db2.gz HYBVVHAETRLEFE-QFIPXVFZSA-N 1 1 398.333 6.092 40 0 GKABMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000031819619 570506710 /nfs/dbraw/zinc/50/67/10/570506710.db2.gz HYBVVHAETRLEFE-JOCHJYFZSA-N 1 1 398.333 6.092 40 0 GKABMO Clc1ccccc1OCCCn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000031903417 570507280 /nfs/dbraw/zinc/50/72/80/570507280.db2.gz JDGNWFIOCDZWDC-UHFFFAOYSA-N 1 1 383.923 5.145 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)C1 ZINC000224335295 570509712 /nfs/dbraw/zinc/50/97/12/570509712.db2.gz ZBZJMWLCGFYQNB-SFHVURJKSA-N 1 1 384.523 5.423 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)C1 ZINC000224334154 570509786 /nfs/dbraw/zinc/50/97/86/570509786.db2.gz RATSHPHQVCCXEN-SFHVURJKSA-N 1 1 398.506 6.070 40 0 GKABMO CCc1cc(C[N@@H+]2CCc3ccccc3C2)c(NC(=O)c2ccccc2)s1 ZINC000020218701 570514571 /nfs/dbraw/zinc/51/45/71/570514571.db2.gz DQZIAIGMENTPHR-UHFFFAOYSA-N 1 1 376.525 5.121 40 0 GKABMO CCc1cc(C[N@H+]2CCc3ccccc3C2)c(NC(=O)c2ccccc2)s1 ZINC000020218701 570514575 /nfs/dbraw/zinc/51/45/75/570514575.db2.gz DQZIAIGMENTPHR-UHFFFAOYSA-N 1 1 376.525 5.121 40 0 GKABMO Oc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)cc1 ZINC000000904231 570515607 /nfs/dbraw/zinc/51/56/07/570515607.db2.gz HUDNRQCBCHUNHF-UHFFFAOYSA-N 1 1 386.293 5.214 40 0 GKABMO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224538186 570517452 /nfs/dbraw/zinc/51/74/52/570517452.db2.gz IDQYJOYXXYMFPN-INIZCTEOSA-N 1 1 399.406 5.538 40 0 GKABMO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542592 570517644 /nfs/dbraw/zinc/51/76/44/570517644.db2.gz BZXCMXALMGCDCE-INIZCTEOSA-N 1 1 399.406 5.538 40 0 GKABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000035181647 570550333 /nfs/dbraw/zinc/55/03/33/570550333.db2.gz DZDUJFSXMWWKDA-OQLLNIDSSA-N 1 1 387.332 5.109 40 0 GKABMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833468 570585110 /nfs/dbraw/zinc/58/51/10/570585110.db2.gz ZBSRULKAUBHLMV-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833468 570585112 /nfs/dbraw/zinc/58/51/12/570585112.db2.gz ZBSRULKAUBHLMV-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000038833355 570585126 /nfs/dbraw/zinc/58/51/26/570585126.db2.gz MIWDZZHHPNIHBP-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833463 570585209 /nfs/dbraw/zinc/58/52/09/570585209.db2.gz SILLMWMJRFUQAB-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833463 570585213 /nfs/dbraw/zinc/58/52/13/570585213.db2.gz SILLMWMJRFUQAB-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833286 570585359 /nfs/dbraw/zinc/58/53/59/570585359.db2.gz SQAJHYONMKAFAI-HNNXBMFYSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833286 570585362 /nfs/dbraw/zinc/58/53/62/570585362.db2.gz SQAJHYONMKAFAI-HNNXBMFYSA-N 1 1 377.315 5.153 40 0 GKABMO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833822 570585750 /nfs/dbraw/zinc/58/57/50/570585750.db2.gz HKTVFRGGDVOHEH-ZDUSSCGKSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833822 570585752 /nfs/dbraw/zinc/58/57/52/570585752.db2.gz HKTVFRGGDVOHEH-ZDUSSCGKSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834697 570585906 /nfs/dbraw/zinc/58/59/06/570585906.db2.gz HDANTTLTAAACLK-OAHLLOKOSA-N 1 1 396.840 5.210 40 0 GKABMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1C ZINC000038835189 570586286 /nfs/dbraw/zinc/58/62/86/570586286.db2.gz KSSCTDLANGSKQN-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1C ZINC000038835189 570586288 /nfs/dbraw/zinc/58/62/88/570586288.db2.gz KSSCTDLANGSKQN-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1C ZINC000038835202 570586552 /nfs/dbraw/zinc/58/65/52/570586552.db2.gz JWZMYPLTMWJMSF-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038835005 570586714 /nfs/dbraw/zinc/58/67/14/570586714.db2.gz VSGALDBOFXHUQC-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038853590 570588232 /nfs/dbraw/zinc/58/82/32/570588232.db2.gz YOIWZGKEKZYVGX-UHFFFAOYSA-N 1 1 399.268 5.122 40 0 GKABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038852401 570588362 /nfs/dbraw/zinc/58/83/62/570588362.db2.gz ATBZRDLPMIOCSX-KRWDZBQOSA-N 1 1 395.374 5.212 40 0 GKABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038852401 570588367 /nfs/dbraw/zinc/58/83/67/570588367.db2.gz ATBZRDLPMIOCSX-KRWDZBQOSA-N 1 1 395.374 5.212 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000038857106 570588596 /nfs/dbraw/zinc/58/85/96/570588596.db2.gz VUYDASCUVBTISL-UHFFFAOYSA-N 1 1 393.796 5.164 40 0 GKABMO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577238 570590220 /nfs/dbraw/zinc/59/02/20/570590220.db2.gz WIUIHEBAPOYVBV-UHFFFAOYSA-N 1 1 395.305 5.292 40 0 GKABMO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579859 570590683 /nfs/dbraw/zinc/59/06/83/570590683.db2.gz FTMMUHMFQVQJKR-UHFFFAOYSA-N 1 1 388.914 5.201 40 0 GKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccccc2C)on1 ZINC000012134514 570614110 /nfs/dbraw/zinc/61/41/10/570614110.db2.gz WILHRBVTTJXZPA-XUZZJYLKSA-N 1 1 375.516 5.100 40 0 GKABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2c(C)oc3ccccc32)s1 ZINC000043277881 570626749 /nfs/dbraw/zinc/62/67/49/570626749.db2.gz MJPLMNKBZGMHQB-UHFFFAOYSA-N 1 1 379.529 5.400 40 0 GKABMO Clc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccc2ncccc2c1 ZINC000043277782 570627224 /nfs/dbraw/zinc/62/72/24/570627224.db2.gz TUXUEOGLRDBKIB-UHFFFAOYSA-N 1 1 390.918 5.177 40 0 GKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000225905163 570632347 /nfs/dbraw/zinc/63/23/47/570632347.db2.gz MVGKUDLSESRUQK-MAUKXSAKSA-N 1 1 391.342 5.083 40 0 GKABMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000225910733 570632767 /nfs/dbraw/zinc/63/27/67/570632767.db2.gz OADRVGRCSCWQNQ-AWEZNQCLSA-N 1 1 395.305 5.008 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 ZINC000044856114 570636606 /nfs/dbraw/zinc/63/66/06/570636606.db2.gz UUMKFISTNMMHTN-VWLOTQADSA-N 1 1 395.506 5.068 40 0 GKABMO CCCCC[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)CCCC ZINC000004712853 570636573 /nfs/dbraw/zinc/63/65/73/570636573.db2.gz WEOCXFUEIUWOBH-YIPNQBBMSA-N 1 1 393.615 6.922 40 0 GKABMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C ZINC000044856302 570636758 /nfs/dbraw/zinc/63/67/58/570636758.db2.gz HXMIHKHDUSTAHV-GHTZIAJQSA-N 1 1 384.951 5.046 40 0 GKABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C)c(C)c1 ZINC000044856457 570636985 /nfs/dbraw/zinc/63/69/85/570636985.db2.gz ZVAVFSYVANKQGA-GGAORHGYSA-N 1 1 398.978 5.436 40 0 GKABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C)c(C)c1 ZINC000044856458 570637059 /nfs/dbraw/zinc/63/70/59/570637059.db2.gz ZVAVFSYVANKQGA-FYYLOGMGSA-N 1 1 398.978 5.436 40 0 GKABMO CC(C)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004882338 570642120 /nfs/dbraw/zinc/64/21/20/570642120.db2.gz MRLFONBYCAWJGF-CWAQXLGLSA-N 1 1 391.559 5.517 40 0 GKABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccc(F)cc2)C3)cc1 ZINC000004887997 570642925 /nfs/dbraw/zinc/64/29/25/570642925.db2.gz OEGQLZDZMFSETA-FRIKZZABSA-N 1 1 397.563 5.006 40 0 GKABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935596 570644252 /nfs/dbraw/zinc/64/42/52/570644252.db2.gz NFACPVZLNYPVAJ-IRLDBZIGSA-N 1 1 384.951 5.128 40 0 GKABMO COc1ccccc1OCCn1cc(/C=C/C2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000004933143 570649716 /nfs/dbraw/zinc/64/97/16/570649716.db2.gz CPAUPXZHTCSHQI-VAWYXSNFSA-N 1 1 388.511 5.004 40 0 GKABMO CC(C)[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005002472 570652166 /nfs/dbraw/zinc/65/21/66/570652166.db2.gz XANBEVHQLOSTKB-YAOOYPAMSA-N 1 1 385.551 5.965 40 0 GKABMO c1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4ccccc43)[C@@H](c3ccccc3)C2)cc1 ZINC000013563452 570656652 /nfs/dbraw/zinc/65/66/52/570656652.db2.gz SUPUOCXWGNFONI-PKTNWEFCSA-N 1 1 396.578 5.712 40 0 GKABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc(OC(C)C)c2)cc1 ZINC000013989191 570868350 /nfs/dbraw/zinc/86/83/50/570868350.db2.gz GTSIEJWFWXPUHX-UHFFFAOYSA-N 1 1 376.500 5.080 40 0 GKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc(OC(C)C)c2)cc1 ZINC000013989191 570868353 /nfs/dbraw/zinc/86/83/53/570868353.db2.gz GTSIEJWFWXPUHX-UHFFFAOYSA-N 1 1 376.500 5.080 40 0 GKABMO c1csc([C@H](c2nnnn2C2CCCCC2)[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000020098408 570940796 /nfs/dbraw/zinc/94/07/96/570940796.db2.gz PCOIWUIPQJCYFR-HXUWFJFHSA-N 1 1 399.608 5.376 40 0 aggregator GKABMO c1csc([C@H](c2nnnn2C2CCCCC2)[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000020098408 570940801 /nfs/dbraw/zinc/94/08/01/570940801.db2.gz PCOIWUIPQJCYFR-HXUWFJFHSA-N 1 1 399.608 5.376 40 0 aggregator GKABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1CC1CCCCC1)c1ccccn1 ZINC000019081694 570956145 /nfs/dbraw/zinc/95/61/45/570956145.db2.gz OSGBAJHDRQKEEV-UNMCSNQZSA-N 1 1 385.596 5.110 40 0 GKABMO Cc1ccc(C[N@H+](Cc2cccn2-c2ccc(C)cn2)Cc2ccncc2)cc1 ZINC000019210171 570960140 /nfs/dbraw/zinc/96/01/40/570960140.db2.gz HWDZIQDOHLWIAO-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO Cc1ccc(C[N@@H+](Cc2cccn2-c2ccc(C)cn2)Cc2ccncc2)cc1 ZINC000019210171 570960146 /nfs/dbraw/zinc/96/01/46/570960146.db2.gz HWDZIQDOHLWIAO-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO Cc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C ZINC000019213913 570961348 /nfs/dbraw/zinc/96/13/48/570961348.db2.gz MJIQHQAODYIVSX-LOSJGSFVSA-N 1 1 390.502 5.022 40 0 GKABMO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@H+]2Cc2ccccc2F)n1 ZINC000019525609 570997349 /nfs/dbraw/zinc/99/73/49/570997349.db2.gz PHKCFBVDEGJMGS-JOCHJYFZSA-N 1 1 390.506 5.357 40 0 GKABMO Cc1c(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cnn1C ZINC000019690880 571029127 /nfs/dbraw/zinc/02/91/27/571029127.db2.gz OHNZUEQGJCCVMR-HSZRJFAPSA-N 1 1 394.950 5.013 40 0 GKABMO Cc1cc(C)n(-c2cccc(C[N@@H+](CCc3ccccc3)Cc3ccncc3)c2)n1 ZINC000019574789 210267561 /nfs/dbraw/zinc/26/75/61/210267561.db2.gz BMVVQNHOHDSRAT-UHFFFAOYSA-N 1 1 396.538 5.129 40 0 GKABMO Cc1noc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)cc(C(F)F)c12 ZINC000019564353 210264078 /nfs/dbraw/zinc/26/40/78/210264078.db2.gz LZZMFSUUVBLELK-LBPRGKRZSA-N 1 1 393.384 5.127 40 0 GKABMO COc1ccc2c(c1)C[C@@H](c1cccnc1)[NH2+][C@H]2c1ccc(Cl)c(Cl)c1 ZINC000019562586 210262846 /nfs/dbraw/zinc/26/28/46/210262846.db2.gz SOKODDQCJVVGQU-SFTDATJTSA-N 1 1 385.294 5.373 40 0 GKABMO c1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1 ZINC000245227679 231040168 /nfs/dbraw/zinc/04/01/68/231040168.db2.gz SUPUOCXWGNFONI-KCHLEUMXSA-N 1 1 396.578 5.712 40 0 GKABMO COc1cc2c(cc1OC)[C@@H]1CC(c3ccccc3)=C(c3ccccc3)C[N@H+]1CC2 ZINC000001721516 209337406 /nfs/dbraw/zinc/33/74/06/209337406.db2.gz KEENRRJPMVGIPA-VWLOTQADSA-N 1 1 397.518 5.618 40 0 GKABMO Cc1ccc(N(CC(=O)c2ccc(Cl)c(Cl)c2)C2=[NH+]CCCCC2)cc1 ZINC000008411688 212073958 /nfs/dbraw/zinc/07/39/58/212073958.db2.gz PRLFTHIIIWKBKK-UHFFFAOYSA-N 1 1 389.326 5.964 40 0 GKABMO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000004857220 204083423 /nfs/dbraw/zinc/08/34/23/204083423.db2.gz AWEAYUXTOXOPFE-NOTZXAQLSA-N 1 1 393.600 5.176 40 0 GKABMO C[N@H+]1C[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000004867209 204084005 /nfs/dbraw/zinc/08/40/05/204084005.db2.gz JABONFOKZVPFLG-LOSJGSFVSA-N 1 1 379.503 5.572 40 0 GKABMO CCCCOc1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000004422594 204044265 /nfs/dbraw/zinc/04/42/65/204044265.db2.gz ZCQCDSARUJCDHP-BVZFJXPGSA-N 1 1 396.575 5.416 40 0 GKABMO CC(C)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000006858892 204216305 /nfs/dbraw/zinc/21/63/05/204216305.db2.gz WKQGCAQYAXOHFE-UHFFFAOYSA-N 1 1 390.918 6.199 40 0 GKABMO Cc1cccc(N(CC(=O)c2ccc(Br)cc2)C2=[NH+]CCCC2)c1 ZINC000008414532 204276594 /nfs/dbraw/zinc/27/65/94/204276594.db2.gz PCVKJXOJXQUCBZ-UHFFFAOYSA-N 1 1 385.305 5.029 40 0 GKABMO C[C@@H]1CCCC[N@H+]1Cc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216827094 209175406 /nfs/dbraw/zinc/17/54/06/209175406.db2.gz GSBAVTANHXFNNR-CQSZACIVSA-N 1 1 385.305 5.632 40 0 GKABMO O=C1[C@H]2[C@H](C[C@H](c3ccccc3)[N@H+]2Cc2ccccc2)CCN1c1ccccc1 ZINC000257247269 212010121 /nfs/dbraw/zinc/01/01/21/212010121.db2.gz IYFMWLYPQQXSAC-ICDZXHCJSA-N 1 1 382.507 5.055 40 0 GKABMO CC(C)c1nc(NC2CCCCC2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329007241 209156648 /nfs/dbraw/zinc/15/66/48/209156648.db2.gz LJVPPSUPXUZIEI-UHFFFAOYSA-N 1 1 378.564 5.642 40 0 GKABMO Clc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000328974997 209154468 /nfs/dbraw/zinc/15/44/68/209154468.db2.gz FJHLVTCBRJELNH-UHFFFAOYSA-N 1 1 390.918 5.182 40 0 GKABMO Clc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000328974997 209154472 /nfs/dbraw/zinc/15/44/72/209154472.db2.gz FJHLVTCBRJELNH-UHFFFAOYSA-N 1 1 390.918 5.182 40 0 GKABMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038852403 205040552 /nfs/dbraw/zinc/04/05/52/205040552.db2.gz ATBZRDLPMIOCSX-QGZVFWFLSA-N 1 1 395.374 5.212 40 0 GKABMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038852403 205040555 /nfs/dbraw/zinc/04/05/55/205040555.db2.gz ATBZRDLPMIOCSX-QGZVFWFLSA-N 1 1 395.374 5.212 40 0 GKABMO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038859847 205041383 /nfs/dbraw/zinc/04/13/83/205041383.db2.gz GYILZHBUMBPJKP-LJQANCHMSA-N 1 1 384.951 5.623 40 0 GKABMO CC[NH+](CC)c1ccc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000073739989 205031357 /nfs/dbraw/zinc/03/13/57/205031357.db2.gz UXYPZDJEUUJUIL-UHFFFAOYSA-N 1 1 375.903 6.192 40 0 GKABMO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038833544 205038172 /nfs/dbraw/zinc/03/81/72/205038172.db2.gz HTJKBEABALGAHC-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038833480 205038592 /nfs/dbraw/zinc/03/85/92/205038592.db2.gz RMNREIBNNMKZEU-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO CCOc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870352 209127509 /nfs/dbraw/zinc/12/75/09/209127509.db2.gz MCWNNLNFHPGZGT-UHFFFAOYSA-N 1 1 384.907 5.401 40 0 GKABMO Clc1ccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348959 205331285 /nfs/dbraw/zinc/33/12/85/205331285.db2.gz NIYHIITXCCPOLW-IBGZPJMESA-N 1 1 377.919 5.100 40 0 GKABMO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cn1 ZINC000072358214 205334798 /nfs/dbraw/zinc/33/47/98/205334798.db2.gz XOENSBMZZCUWBV-JOCHJYFZSA-N 1 1 392.934 5.015 40 0 GKABMO CCc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cn1 ZINC000072358214 205334803 /nfs/dbraw/zinc/33/48/03/205334803.db2.gz XOENSBMZZCUWBV-JOCHJYFZSA-N 1 1 392.934 5.015 40 0 GKABMO O=C(Nc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575068 206059618 /nfs/dbraw/zinc/05/96/18/206059618.db2.gz JNFIUNUKOXOLJR-UHFFFAOYSA-N 1 1 396.893 5.483 40 0 GKABMO CCc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000225621813 206062224 /nfs/dbraw/zinc/06/22/24/206062224.db2.gz SKQLQCMAIXROLD-FQEVSTJZSA-N 1 1 398.550 5.298 40 0 GKABMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000225907676 206083575 /nfs/dbraw/zinc/08/35/75/206083575.db2.gz JTSRQCNOSVMAIE-HNNXBMFYSA-N 1 1 395.305 5.008 40 0 GKABMO Clc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329048328 206242282 /nfs/dbraw/zinc/24/22/82/206242282.db2.gz UJJWHDVGHCUXJG-UHFFFAOYSA-N 1 1 382.939 5.315 40 0 GKABMO Clc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329048328 206242284 /nfs/dbraw/zinc/24/22/84/206242284.db2.gz UJJWHDVGHCUXJG-UHFFFAOYSA-N 1 1 382.939 5.315 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C1 ZINC000216827231 206252995 /nfs/dbraw/zinc/25/29/95/206252995.db2.gz KHIHRZXDHGOTCI-CQSZACIVSA-N 1 1 385.305 5.489 40 0 GKABMO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096214630 211319464 /nfs/dbraw/zinc/31/94/64/211319464.db2.gz AIHATYLWQGRURD-QFIPXVFZSA-N 1 1 383.923 5.003 40 0 GKABMO Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CC2CCCCC2)[nH+]1 ZINC000072372512 211103454 /nfs/dbraw/zinc/10/34/54/211103454.db2.gz CJWOFRLECUFQJU-IBGZPJMESA-N 1 1 384.549 5.224 40 0 GKABMO c1ccc(Nc2cccc([C@H]3CCC[N@H+](Cc4cccc5ncccc45)C3)n2)nc1 ZINC000072376094 211105650 /nfs/dbraw/zinc/10/56/50/211105650.db2.gz HVBPJZYGNIEDCM-FQEVSTJZSA-N 1 1 395.510 5.148 40 0 GKABMO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072348867 211095756 /nfs/dbraw/zinc/09/57/56/211095756.db2.gz LQJHQGUMXHBHEJ-HXUWFJFHSA-N 1 1 377.919 5.100 40 0 GKABMO Clc1ccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@@H+]32)cc1 ZINC000019321922 207115680 /nfs/dbraw/zinc/11/56/80/207115680.db2.gz LVRGUQOBRYEEEZ-MZYLBHOOSA-N 1 1 377.919 5.287 40 0 GKABMO Clc1ccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@H+]32)cc1 ZINC000019321922 207115683 /nfs/dbraw/zinc/11/56/83/207115683.db2.gz LVRGUQOBRYEEEZ-MZYLBHOOSA-N 1 1 377.919 5.287 40 0 GKABMO Fc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019333682 207117230 /nfs/dbraw/zinc/11/72/30/207117230.db2.gz YUMQYOQKUHZBOX-FCHUYYIVSA-N 1 1 385.479 5.211 40 0 GKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](C3CCCCC3)CC[C@@H]21 ZINC000019368988 207119097 /nfs/dbraw/zinc/11/90/97/207119097.db2.gz NNMYSLYYJIACQG-VABKMULXSA-N 1 1 394.584 5.011 40 0 GKABMO COc1cccc(C[N@@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372502 208004967 /nfs/dbraw/zinc/00/49/67/208004967.db2.gz PYTRENZGWMOUQV-NRFANRHFSA-N 1 1 394.544 5.244 40 0 GKABMO COc1cccc(C[N@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372502 208004971 /nfs/dbraw/zinc/00/49/71/208004971.db2.gz PYTRENZGWMOUQV-NRFANRHFSA-N 1 1 394.544 5.244 40 0 GKABMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4C[C@]5(C)C[C@H]4CC(C)(C)C5)[C@H]3C=C12 ZINC000085867294 208103173 /nfs/dbraw/zinc/10/31/73/208103173.db2.gz KOTBZCSHVIMQNP-IFMAHAOQSA-N 1 1 385.592 5.201 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)C1 ZINC000020457694 210337871 /nfs/dbraw/zinc/33/78/71/210337871.db2.gz IZYJQYICKHOROE-CQSZACIVSA-N 1 1 377.315 5.478 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)C1 ZINC000020452646 210336347 /nfs/dbraw/zinc/33/63/47/210336347.db2.gz NAZMGJWKHWROGJ-OAQYLSRUSA-N 1 1 390.571 5.013 40 0 GKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000020047346 210314008 /nfs/dbraw/zinc/31/40/08/210314008.db2.gz BJCZZXIEPRWSNG-UHFFFAOYSA-N 1 1 395.506 5.019 40 0 GKABMO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)n1 ZINC000257201110 209054420 /nfs/dbraw/zinc/05/44/20/209054420.db2.gz AGISXDWTDNZPDG-UHFFFAOYSA-N 1 1 399.897 5.526 40 0 GKABMO COc1ccc(OCCNc2cccc([C@H]3CCC[N@H+]3C3CCCCC3)n2)cc1 ZINC000257223850 209058488 /nfs/dbraw/zinc/05/84/88/209058488.db2.gz DZEUULOQXHSQSG-HSZRJFAPSA-N 1 1 395.547 5.051 40 0 GKABMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H](C)C1(O)c1ccc(F)cc1 ZINC000013468130 221268717 /nfs/dbraw/zinc/26/87/17/221268717.db2.gz FTGMSKYZJVDEFA-RWEGGZBESA-N 1 1 389.514 5.714 40 0 GKABMO Cc1ccc2cc(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1C ZINC000057718271 136153803 /nfs/dbraw/zinc/15/38/03/136153803.db2.gz XTQJWYLKCGRLNW-CALCHBBNSA-N 1 1 389.543 5.239 40 0 GKABMO CC(C)c1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C)CC4)cc3)cc2c1 ZINC000057712739 136153944 /nfs/dbraw/zinc/15/39/44/136153944.db2.gz LDRWNGIFOQCJFT-UHFFFAOYSA-N 1 1 389.543 5.500 40 0 GKABMO c1csc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375356 222242413 /nfs/dbraw/zinc/24/24/13/222242413.db2.gz RKFRKBCYFYNFJS-HXUWFJFHSA-N 1 1 387.512 5.167 40 0 GKABMO FC(F)(F)c1cccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1 ZINC000095871147 222360536 /nfs/dbraw/zinc/36/05/36/222360536.db2.gz FZHOEGRWSUOTOO-UHFFFAOYSA-N 1 1 383.413 5.558 40 0 GKABMO FC(F)(F)c1ccc(C[N@H+]2CCC[C@@]23CCCN(Cc2ccccc2)C3)cc1 ZINC000096214643 222398310 /nfs/dbraw/zinc/39/83/10/222398310.db2.gz URTYMLSTBDTOAG-JOCHJYFZSA-N 1 1 388.477 5.336 40 0 GKABMO FC(F)(F)c1ccc(CN2CCC[C@@]23CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000096214643 222398312 /nfs/dbraw/zinc/39/83/12/222398312.db2.gz URTYMLSTBDTOAG-JOCHJYFZSA-N 1 1 388.477 5.336 40 0 GKABMO FC(F)(F)c1ccc(CN2CCC[C@@]23CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000096214643 222398317 /nfs/dbraw/zinc/39/83/17/222398317.db2.gz URTYMLSTBDTOAG-JOCHJYFZSA-N 1 1 388.477 5.336 40 0 GKABMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000020529081 560093431 /nfs/dbraw/zinc/09/34/31/560093431.db2.gz YHYQZSVKBBWONV-UFEKTTADSA-N 1 1 391.555 5.467 40 0 biogenic,in-vitro GKABMO CC(=O)OCC[N@H+](C[C@H]1[C@H](C)C=C(C)C[C@@H]1C)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000004980992 570213793 /nfs/dbraw/zinc/21/37/93/570213793.db2.gz BRHVDTJVVBPNCJ-OUJNNOLASA-N 1 1 375.597 5.328 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)C1 ZINC000020044163 570237406 /nfs/dbraw/zinc/23/74/06/570237406.db2.gz KWGBSFRNAXEINV-HNNXBMFYSA-N 1 1 376.422 5.190 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000020107945 570239977 /nfs/dbraw/zinc/23/99/77/570239977.db2.gz PIWXYZCNAVKZIQ-CQSZACIVSA-N 1 1 377.315 5.478 40 0 GKABMO CC(C)c1ccc(CCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020451353 570257501 /nfs/dbraw/zinc/25/75/01/570257501.db2.gz SKPYPSXHVWXJPY-HXUWFJFHSA-N 1 1 378.560 5.014 40 0 GKABMO CC(C)c1ccc(C[C@@H]2C[N@H+](C)C[C@H](Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001626844 570266465 /nfs/dbraw/zinc/26/64/65/570266465.db2.gz IRROJJKZRAYGGH-PLQXJYEYSA-N 1 1 377.572 5.466 40 0 GKABMO Cc1ccc([C@](O)(c2ccccc2)[C@@H]2[C@H](c3ccccc3)[N@H+]2C2CCCCC2)cc1 ZINC000001690379 570267367 /nfs/dbraw/zinc/26/73/67/570267367.db2.gz HRBNJDCFKNWDAL-YAZNYETNSA-N 1 1 397.562 5.989 40 0 GKABMO CC[NH+](CC)CCC[C@H](C)Nc1cc(-c2ccccc2)nc2cc(OC)ccc21 ZINC000001729670 570267593 /nfs/dbraw/zinc/26/75/93/570267593.db2.gz BZGJTNMHBWLFNW-IBGZPJMESA-N 1 1 391.559 5.833 40 0 GKABMO c1cc2c(s1)CC[N@H+](C(c1ccccc1)(c1ccccc1)c1ccccc1)C2 ZINC000022066870 570304225 /nfs/dbraw/zinc/30/42/25/570304225.db2.gz FZKZMCVLPGUJJQ-UHFFFAOYSA-N 1 1 381.544 6.098 40 0 in-vitro GKABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215641 570313733 /nfs/dbraw/zinc/31/37/33/570313733.db2.gz YXLURSBEFYEVSZ-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215640 570313750 /nfs/dbraw/zinc/31/37/50/570313750.db2.gz YXLURSBEFYEVSZ-HXUWFJFHSA-N 1 1 387.568 5.703 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214882 570314773 /nfs/dbraw/zinc/31/47/73/570314773.db2.gz DAIMBFUSOCQCIY-LJQANCHMSA-N 1 1 375.557 5.559 40 0 GKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214563 570314865 /nfs/dbraw/zinc/31/48/65/570314865.db2.gz DFOFCASHPFRNFI-LJQANCHMSA-N 1 1 375.557 5.416 40 0 GKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214668 570314894 /nfs/dbraw/zinc/31/48/94/570314894.db2.gz NRUSYKIHDAGRIU-OAQYLSRUSA-N 1 1 395.547 5.570 40 0 GKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214727 570314942 /nfs/dbraw/zinc/31/49/42/570314942.db2.gz XKJOQVFCTQOCIG-NRFANRHFSA-N 1 1 395.547 5.570 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214703 570315055 /nfs/dbraw/zinc/31/50/55/570315055.db2.gz ARELWYLBFCFEOS-IBGZPJMESA-N 1 1 375.557 5.560 40 0 GKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072214701 570315069 /nfs/dbraw/zinc/31/50/69/570315069.db2.gz OONSKRQXSXUCRW-LJQANCHMSA-N 1 1 375.557 5.416 40 0 GKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214577 570315120 /nfs/dbraw/zinc/31/51/20/570315120.db2.gz OAWNKUFBXOEPFZ-IBGZPJMESA-N 1 1 375.557 5.416 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072215122 570315249 /nfs/dbraw/zinc/31/52/49/570315249.db2.gz LOZVOYSKTWJCLY-HKUYNNGSSA-N 1 1 375.557 5.415 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072214982 570315302 /nfs/dbraw/zinc/31/53/02/570315302.db2.gz JBUQWCHEUQYVJV-LJQANCHMSA-N 1 1 375.557 5.416 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CCCC ZINC000072215063 570315373 /nfs/dbraw/zinc/31/53/73/570315373.db2.gz WHIQEUJVMOROCE-FQEVSTJZSA-N 1 1 389.584 5.950 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CCCC ZINC000072215062 570315403 /nfs/dbraw/zinc/31/54/03/570315403.db2.gz WHIQEUJVMOROCE-HXUWFJFHSA-N 1 1 389.584 5.950 40 0 GKABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214908 570315441 /nfs/dbraw/zinc/31/54/41/570315441.db2.gz NEXDHCYZFWSCBD-OAQYLSRUSA-N 1 1 395.547 5.569 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072215153 570315455 /nfs/dbraw/zinc/31/54/55/570315455.db2.gz FYSDTSBIVHZWDT-IEBWSBKVSA-N 1 1 375.557 5.557 40 0 GKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215464 570315777 /nfs/dbraw/zinc/31/57/77/570315777.db2.gz OXIBIYSZSDPVCR-HXUWFJFHSA-N 1 1 387.568 5.559 40 0 GKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215524 570315814 /nfs/dbraw/zinc/31/58/14/570315814.db2.gz VZFJXPVPDITNJF-HXUWFJFHSA-N 1 1 387.568 5.559 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215160 570315852 /nfs/dbraw/zinc/31/58/52/570315852.db2.gz TYAIGBPBJVISGT-ICSRJNTNSA-N 1 1 389.584 5.949 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215466 570315914 /nfs/dbraw/zinc/31/59/14/570315914.db2.gz LAIPOPSNDCCQTE-HXUWFJFHSA-N 1 1 387.568 5.703 40 0 GKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215568 570315930 /nfs/dbraw/zinc/31/59/30/570315930.db2.gz AVUUJPOFFCNHIR-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072215265 570315953 /nfs/dbraw/zinc/31/59/53/570315953.db2.gz WHYSFGGFJLOLIP-IEBWSBKVSA-N 1 1 375.557 5.557 40 0 GKABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215801 570316468 /nfs/dbraw/zinc/31/64/68/570316468.db2.gz RUDIRUFWUXTTEB-HXUWFJFHSA-N 1 1 381.520 5.700 40 0 GKABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215684 570316548 /nfs/dbraw/zinc/31/65/48/570316548.db2.gz UYCWZRUFZGHECH-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215699 570316576 /nfs/dbraw/zinc/31/65/76/570316576.db2.gz YYEQDVZUODFLEU-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215807 570316588 /nfs/dbraw/zinc/31/65/88/570316588.db2.gz BHJGWGZHZQHXHT-OAQYLSRUSA-N 1 1 395.547 6.092 40 0 GKABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215805 570316605 /nfs/dbraw/zinc/31/66/05/570316605.db2.gz WVVDDFYXQSFXBT-OAQYLSRUSA-N 1 1 395.547 5.948 40 0 GKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215820 570316683 /nfs/dbraw/zinc/31/66/83/570316683.db2.gz ADQPGMBIWIFYRJ-OAQYLSRUSA-N 1 1 395.547 6.092 40 0 GKABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215866 570317045 /nfs/dbraw/zinc/31/70/45/570317045.db2.gz HJSGVLMOQXKKGL-NRFANRHFSA-N 1 1 395.547 5.948 40 0 GKABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215879 570317143 /nfs/dbraw/zinc/31/71/43/570317143.db2.gz AUYBUVJPXHLMDR-FQEVSTJZSA-N 1 1 381.520 5.702 40 0 GKABMO CC(C)[N@H+]1CC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585262848 570320495 /nfs/dbraw/zinc/32/04/95/570320495.db2.gz LWIROSAINAPYRM-KRWDZBQOSA-N 1 1 396.535 5.361 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)C1 ZINC000022533740 570321266 /nfs/dbraw/zinc/32/12/66/570321266.db2.gz JJCSNPRALFBCCL-CQSZACIVSA-N 1 1 377.315 5.478 40 0 GKABMO Cc1cc(OC[C@]2(O)CCC[N@H+](C3CCC(C)(C)CC3)C2)cc(C)c1Cl ZINC000585281788 570321659 /nfs/dbraw/zinc/32/16/59/570321659.db2.gz RNDABBCFCYXJKB-QFIPXVFZSA-N 1 1 379.972 5.131 40 0 GKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1C ZINC000219239201 570350510 /nfs/dbraw/zinc/35/05/10/570350510.db2.gz MSZPWDBPGZJXEE-NTKDMRAZSA-N 1 1 378.560 5.416 40 0 GKABMO C[C@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118919208 570367708 /nfs/dbraw/zinc/36/77/08/570367708.db2.gz JALVTHFTYRPDMB-IQNRCGQSSA-N 1 1 399.663 5.735 40 0 in-man GKABMO Cc1ccc(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)s1 ZINC000057774460 570373707 /nfs/dbraw/zinc/37/37/07/570373707.db2.gz UVOGFUPMJYGFQX-ZDUSSCGKSA-N 1 1 395.450 5.300 40 0 GKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371117 570381129 /nfs/dbraw/zinc/38/11/29/570381129.db2.gz FZDRVOARGHCRRW-MJGOQNOKSA-N 1 1 375.557 5.559 40 0 GKABMO c1ccc(CN[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000023477084 570393709 /nfs/dbraw/zinc/39/37/09/570393709.db2.gz QEUWNGJNPLRKLR-HNRBIFIRSA-N 1 1 392.546 6.049 40 0 GKABMO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222889847 570430147 /nfs/dbraw/zinc/43/01/47/570430147.db2.gz HTFWUPVOLRVGEM-NRFANRHFSA-N 1 1 392.930 5.022 40 0 GKABMO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1(c2ccccc2)CC1)CC3 ZINC000005158855 570430403 /nfs/dbraw/zinc/43/04/03/570430403.db2.gz KHHFVXIAEOEQSX-VXQMPNGUSA-N 1 1 387.567 5.485 40 0 GKABMO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)cc1 ZINC000035289770 570455561 /nfs/dbraw/zinc/45/55/61/570455561.db2.gz HWOOIKGSARUNLQ-FRIKZZABSA-N 1 1 397.563 5.006 40 0 GKABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C1 ZINC000225615359 570457148 /nfs/dbraw/zinc/45/71/48/570457148.db2.gz PDMOIQPOEOMYBV-GASCZTMLSA-N 1 1 399.332 5.735 40 0 GKABMO CCCC[N@H+](Cc1ccccc1)C[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000005973464 570463380 /nfs/dbraw/zinc/46/33/80/570463380.db2.gz DAZWNIDEGHHIEQ-HHHXNRCGSA-N 1 1 387.567 6.054 40 0 GKABMO CCCC[C@@H](CC)CNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223414919 570464864 /nfs/dbraw/zinc/46/48/64/570464864.db2.gz YGVFIEDMWIHAMY-HXUWFJFHSA-N 1 1 378.560 5.191 40 0 GKABMO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944023 570501458 /nfs/dbraw/zinc/50/14/58/570501458.db2.gz GVVRWUJFUGTMQE-QGZVFWFLSA-N 1 1 397.390 5.435 40 0 GKABMO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944023 570501460 /nfs/dbraw/zinc/50/14/60/570501460.db2.gz GVVRWUJFUGTMQE-QGZVFWFLSA-N 1 1 397.390 5.435 40 0 GKABMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944036 570501931 /nfs/dbraw/zinc/50/19/31/570501931.db2.gz PVFVDXCAPBNECQ-INIZCTEOSA-N 1 1 397.390 5.435 40 0 GKABMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944036 570501933 /nfs/dbraw/zinc/50/19/33/570501933.db2.gz PVFVDXCAPBNECQ-INIZCTEOSA-N 1 1 397.390 5.435 40 0 GKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000007523675 570506994 /nfs/dbraw/zinc/50/69/94/570506994.db2.gz MJGZRUOGZJELQV-UHFFFAOYSA-N 1 1 389.854 5.340 40 0 GKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccccc1F ZINC000007523677 570507129 /nfs/dbraw/zinc/50/71/29/570507129.db2.gz MKJIJHHXJRFWPD-UHFFFAOYSA-N 1 1 389.854 5.340 40 0 GKABMO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540334 570517257 /nfs/dbraw/zinc/51/72/57/570517257.db2.gz NCBWHAHFODOURE-UHFFFAOYSA-N 1 1 399.406 5.536 40 0 GKABMO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540598 570517366 /nfs/dbraw/zinc/51/73/66/570517366.db2.gz UPHYSABXYRAQBX-INIZCTEOSA-N 1 1 399.406 5.538 40 0 GKABMO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224548766 570517663 /nfs/dbraw/zinc/51/76/63/570517663.db2.gz SMPZPUZIQYYVEH-UHFFFAOYSA-N 1 1 382.951 5.022 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1 ZINC000224964162 570539900 /nfs/dbraw/zinc/53/99/00/570539900.db2.gz WJIRYEPWCDDVSP-HXUWFJFHSA-N 1 1 391.559 5.161 40 0 GKABMO Clc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000034086997 570557668 /nfs/dbraw/zinc/55/76/68/570557668.db2.gz LAOLCJGKLQTEKP-LOSJGSFVSA-N 1 1 390.958 5.488 40 0 GKABMO Clc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000034086997 570557670 /nfs/dbraw/zinc/55/76/70/570557670.db2.gz LAOLCJGKLQTEKP-LOSJGSFVSA-N 1 1 390.958 5.488 40 0 GKABMO Clc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000034086997 570557671 /nfs/dbraw/zinc/55/76/71/570557671.db2.gz LAOLCJGKLQTEKP-LOSJGSFVSA-N 1 1 390.958 5.488 40 0 GKABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnn(C3CCCCC3)c2)s1 ZINC000036740426 570568657 /nfs/dbraw/zinc/56/86/57/570568657.db2.gz VTWNPNDLCUPFHI-UHFFFAOYSA-N 1 1 397.592 5.047 40 0 GKABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2[nH]c3ccc(F)cc3c2C)s1 ZINC000036740413 570568753 /nfs/dbraw/zinc/56/87/53/570568753.db2.gz SPGPMCZULMZLGM-UHFFFAOYSA-N 1 1 396.535 5.274 40 0 GKABMO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000038832835 570584588 /nfs/dbraw/zinc/58/45/88/570584588.db2.gz MUUOBUXLNQCCSQ-DOTOQJQBSA-N 1 1 391.342 5.083 40 0 GKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000038832835 570584590 /nfs/dbraw/zinc/58/45/90/570584590.db2.gz MUUOBUXLNQCCSQ-DOTOQJQBSA-N 1 1 391.342 5.083 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000038833595 570585042 /nfs/dbraw/zinc/58/50/42/570585042.db2.gz RZSPGENZHKBREF-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000038833595 570585046 /nfs/dbraw/zinc/58/50/46/570585046.db2.gz RZSPGENZHKBREF-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833646 570585097 /nfs/dbraw/zinc/58/50/97/570585097.db2.gz DUYZZJJUWQTMIN-QGZVFWFLSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833646 570585099 /nfs/dbraw/zinc/58/50/99/570585099.db2.gz DUYZZJJUWQTMIN-QGZVFWFLSA-N 1 1 391.342 5.407 40 0 GKABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833073 570585119 /nfs/dbraw/zinc/58/51/19/570585119.db2.gz CFFFZKUBYUTOEU-AREMUKBSSA-N 1 1 398.550 5.128 40 0 GKABMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038833663 570585132 /nfs/dbraw/zinc/58/51/32/570585132.db2.gz BZTMWJSPFGHAPN-UHFFFAOYSA-N 1 1 391.342 5.407 40 0 GKABMO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038833775 570585953 /nfs/dbraw/zinc/58/59/53/570585953.db2.gz DYWFRPUNVBOIAI-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1C ZINC000038835184 570586453 /nfs/dbraw/zinc/58/64/53/570586453.db2.gz NAZREKLIEBBNNI-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1C ZINC000038835184 570586458 /nfs/dbraw/zinc/58/64/58/570586458.db2.gz NAZREKLIEBBNNI-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849783 570587493 /nfs/dbraw/zinc/58/74/93/570587493.db2.gz SWQZDQLFMBHTHW-OAHLLOKOSA-N 1 1 396.840 5.210 40 0 GKABMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849609 570587590 /nfs/dbraw/zinc/58/75/90/570587590.db2.gz XGXWBMCQSDGVQY-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849610 570587624 /nfs/dbraw/zinc/58/76/24/570587624.db2.gz XGXWBMCQSDGVQY-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038860335 570589032 /nfs/dbraw/zinc/58/90/32/570589032.db2.gz PEDLFBZLVJIBRL-OAHLLOKOSA-N 1 1 396.840 5.210 40 0 GKABMO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c(C)c1 ZINC000225579633 570590802 /nfs/dbraw/zinc/59/08/02/570590802.db2.gz YAZMSJDHZUCEKZ-UHFFFAOYSA-N 1 1 388.914 5.255 40 0 GKABMO Cc1cc(C)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000225643610 570597565 /nfs/dbraw/zinc/59/75/65/570597565.db2.gz YQASUDTULHGJOB-UHFFFAOYSA-N 1 1 398.550 5.159 40 0 GKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(C)c(C)c2)on1 ZINC000012134520 570613864 /nfs/dbraw/zinc/61/38/64/570613864.db2.gz WVOHTCDOSNIZEJ-UKILVPOCSA-N 1 1 389.543 5.408 40 0 GKABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccnc3ccc(Cl)cc23)o1 ZINC000043277776 570626783 /nfs/dbraw/zinc/62/67/83/570626783.db2.gz KONXYRVLGPVONH-UHFFFAOYSA-N 1 1 394.906 5.079 40 0 GKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000225905146 570632063 /nfs/dbraw/zinc/63/20/63/570632063.db2.gz MVGKUDLSESRUQK-CRAIPNDOSA-N 1 1 391.342 5.083 40 0 GKABMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000225910711 570632733 /nfs/dbraw/zinc/63/27/33/570632733.db2.gz OADRVGRCSCWQNQ-CQSZACIVSA-N 1 1 395.305 5.008 40 0 GKABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000044856409 570636750 /nfs/dbraw/zinc/63/67/50/570636750.db2.gz DFQPVZVYTTUBIP-OAQYLSRUSA-N 1 1 398.550 5.353 40 0 GKABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1C ZINC000044856616 570637209 /nfs/dbraw/zinc/63/72/09/570637209.db2.gz GDRCUYJHJXRGMW-NFBKMPQASA-N 1 1 398.978 5.436 40 0 GKABMO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)cc1C ZINC000004857315 570638854 /nfs/dbraw/zinc/63/88/54/570638854.db2.gz XXCZSQOGSUIWES-IHWFROFDSA-N 1 1 399.629 5.237 40 0 GKABMO CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004888050 570642690 /nfs/dbraw/zinc/64/26/90/570642690.db2.gz CYEGBRJQSWAEJC-YQQQUEKLSA-N 1 1 383.561 5.018 40 0 GKABMO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966444 570653716 /nfs/dbraw/zinc/65/37/16/570653716.db2.gz ZTCKFZBLFLZSIO-UHFFFAOYSA-N 1 1 399.947 5.076 40 0 GKABMO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966442 570653848 /nfs/dbraw/zinc/65/38/48/570653848.db2.gz VLDOQZJWRYVYAV-UHFFFAOYSA-N 1 1 399.947 5.076 40 0 GKABMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717501 570681552 /nfs/dbraw/zinc/68/15/52/570681552.db2.gz UKZXZTRUZLYWRM-BVZFJXPGSA-N 1 1 396.575 5.684 40 0 GKABMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000068605811 570800571 /nfs/dbraw/zinc/80/05/71/570800571.db2.gz FLBFKNBZPZWVOZ-RXFWQSSRSA-N 1 1 384.523 5.244 40 0 GKABMO CC(C)[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013152590 570837535 /nfs/dbraw/zinc/83/75/35/570837535.db2.gz XANBEVHQLOSTKB-JVYGEBFASA-N 1 1 385.551 5.965 40 0 GKABMO Cc1ccccc1CC[N@@H+]1Cc2cc3ccccc3nc2O[C@H](c2ccccc2)C1 ZINC000013563906 570852188 /nfs/dbraw/zinc/85/21/88/570852188.db2.gz HLVMCNMNXXKOEO-SANMLTNESA-N 1 1 394.518 5.722 40 0 GKABMO Cc1cc(C)n(-c2cccc(C[N@@H+](Cc3ccncc3)Cc3ccc(C)cc3)c2)n1 ZINC000013989360 570868385 /nfs/dbraw/zinc/86/83/85/570868385.db2.gz KWDLPBXINFVHHC-UHFFFAOYSA-N 1 1 396.538 5.395 40 0 GKABMO COc1ccc2[nH]c(C[N@@H+](Cc3ccncc3)Cc3ccc(C)cc3)c(C)c2c1 ZINC000013989339 570868408 /nfs/dbraw/zinc/86/84/08/570868408.db2.gz WMZPCZJLXIIUIB-UHFFFAOYSA-N 1 1 385.511 5.391 40 0 GKABMO Cc1sc(C2([NH2+]Cc3cnn(C(C)(C)C)c3)CCC2)nc1-c1ccccc1F ZINC000559360621 570893956 /nfs/dbraw/zinc/89/39/56/570893956.db2.gz LMZBFAQZIAPZFK-UHFFFAOYSA-N 1 1 398.551 5.378 40 0 GKABMO c1csc([C@@H](c2nnnn2C2CCCCC2)[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000020098406 570940776 /nfs/dbraw/zinc/94/07/76/570940776.db2.gz PCOIWUIPQJCYFR-FQEVSTJZSA-N 1 1 399.608 5.376 40 0 aggregator GKABMO c1csc([C@@H](c2nnnn2C2CCCCC2)[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000020098406 570940781 /nfs/dbraw/zinc/94/07/81/570940781.db2.gz PCOIWUIPQJCYFR-FQEVSTJZSA-N 1 1 399.608 5.376 40 0 aggregator GKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)on1 ZINC000019120454 570956926 /nfs/dbraw/zinc/95/69/26/570956926.db2.gz RKRPJCVBIKAUPZ-NZQKXSOJSA-N 1 1 395.934 5.445 40 0 GKABMO O=C([C@H]1CCC[N@H+](C2CCCCCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745334 570992958 /nfs/dbraw/zinc/99/29/58/570992958.db2.gz RUQLXCXEKHNFLJ-DEOSSOPVSA-N 1 1 396.619 5.293 40 0 GKABMO Cc1c(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c(-c2ccccc2)nn1C ZINC000019658572 571024373 /nfs/dbraw/zinc/02/43/73/571024373.db2.gz GLBRNIBIYXVGPA-FQEVSTJZSA-N 1 1 388.540 5.342 40 0 GKABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1 ZINC000019686996 571028106 /nfs/dbraw/zinc/02/81/06/571028106.db2.gz QQQBFQSAVWAPBD-RUZDIDTESA-N 1 1 388.559 5.151 40 0 GKABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cn1 ZINC000019692067 571029725 /nfs/dbraw/zinc/02/97/25/571029725.db2.gz VLESMFWDJZKASU-HSZRJFAPSA-N 1 1 394.950 5.188 40 0 GKABMO COc1ccc2[nH]c(C[NH2+][C@@H](Cc3cccs3)c3nccs3)c(C)c2c1 ZINC000019565538 210264873 /nfs/dbraw/zinc/26/48/73/210264873.db2.gz CMVZGXKPTKGUBJ-SFHVURJKSA-N 1 1 383.542 5.077 40 0 GKABMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000123212138 231024813 /nfs/dbraw/zinc/02/48/13/231024813.db2.gz DCQBOIHKCBTVFH-BBXZQBFESA-N 1 1 397.647 5.943 40 0 GKABMO COc1nc2cc(C)ccc2cc1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019234260 210233773 /nfs/dbraw/zinc/23/37/73/210233773.db2.gz QCABRRRUQXTVNE-UHFFFAOYSA-N 1 1 397.522 5.192 40 0 GKABMO COc1nc2cc(C)ccc2cc1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019234260 210233784 /nfs/dbraw/zinc/23/37/84/210233784.db2.gz QCABRRRUQXTVNE-UHFFFAOYSA-N 1 1 397.522 5.192 40 0 GKABMO CC[NH+](CC)CC[C@@H](CNc1c(C)cnc2cc(Cl)ccc21)c1ccccc1 ZINC000001712670 212254036 /nfs/dbraw/zinc/25/40/36/212254036.db2.gz GODDWVGFUYMAFN-FQEVSTJZSA-N 1 1 395.978 6.124 40 0 GKABMO CCOc1ccc(C(=O)CN(c2ccc(OCC)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870316 212069927 /nfs/dbraw/zinc/06/99/27/212069927.db2.gz YGZITZZOCSPWCX-UHFFFAOYSA-N 1 1 394.515 5.146 40 0 GKABMO COc1ccc(CCNc2cccc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000257318515 212024524 /nfs/dbraw/zinc/02/45/24/212024524.db2.gz VOGJRWCQYMMETH-OAQYLSRUSA-N 1 1 393.575 5.257 40 0 GKABMO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1 ZINC000257316493 212024298 /nfs/dbraw/zinc/02/42/98/212024298.db2.gz VFVYGQPCLVQUGQ-QFIPXVFZSA-N 1 1 376.479 5.052 40 0 GKABMO CCC[C@]1(CN2c3ccccc3Sc3ccc(Cl)cc32)CC[N@@H+](CC)C1 ZINC000005053137 204106644 /nfs/dbraw/zinc/10/66/44/204106644.db2.gz RNABUSFDZDWNAG-QFIPXVFZSA-N 1 1 386.992 6.455 40 0 GKABMO Cc1cc(N2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)nc(C)[nH+]1 ZINC000257244417 212011016 /nfs/dbraw/zinc/01/10/16/212011016.db2.gz ILFMSEMJRRPTJS-HXUWFJFHSA-N 1 1 392.934 5.117 40 0 GKABMO CC(C)c1nc(NCc2ccccc2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329024280 209158049 /nfs/dbraw/zinc/15/80/49/209158049.db2.gz OYSNLRPZVAWWLY-UHFFFAOYSA-N 1 1 386.543 5.510 40 0 GKABMO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038833479 205039371 /nfs/dbraw/zinc/03/93/71/205039371.db2.gz XXZFGLMFFWJXEK-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000038850608 205040192 /nfs/dbraw/zinc/04/01/92/205040192.db2.gz OBAVNXHQJSRBON-UHFFFAOYSA-N 1 1 393.796 5.164 40 0 GKABMO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038835449 205040906 /nfs/dbraw/zinc/04/09/06/205040906.db2.gz BVGPTHPGVOOCKK-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834055 205038219 /nfs/dbraw/zinc/03/82/19/205038219.db2.gz AJWTYQDIDUOGGM-LJQANCHMSA-N 1 1 378.903 5.344 40 0 GKABMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038833664 205038830 /nfs/dbraw/zinc/03/88/30/205038830.db2.gz UXIDMLWJMQFPBX-UHFFFAOYSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833285 205038925 /nfs/dbraw/zinc/03/89/25/205038925.db2.gz SQAJHYONMKAFAI-OAHLLOKOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833285 205038930 /nfs/dbraw/zinc/03/89/30/205038930.db2.gz SQAJHYONMKAFAI-OAHLLOKOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000038833608 205039178 /nfs/dbraw/zinc/03/91/78/205039178.db2.gz RYCSIQZVTUNGAE-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C)cc1 ZINC000044935896 205090714 /nfs/dbraw/zinc/09/07/14/205090714.db2.gz QGKRAFXTKBUXFF-AREMUKBSSA-N 1 1 398.550 5.434 40 0 GKABMO CCc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cn1 ZINC000072358215 205333614 /nfs/dbraw/zinc/33/36/14/205333614.db2.gz XOENSBMZZCUWBV-QFIPXVFZSA-N 1 1 392.934 5.015 40 0 GKABMO CCc1ncc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cn1 ZINC000072358215 205333618 /nfs/dbraw/zinc/33/36/18/205333618.db2.gz XOENSBMZZCUWBV-QFIPXVFZSA-N 1 1 392.934 5.015 40 0 GKABMO CCc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cn1 ZINC000072358213 205334509 /nfs/dbraw/zinc/33/45/09/205334509.db2.gz HMKWWUFXEKAFQY-QFIPXVFZSA-N 1 1 392.934 5.015 40 0 GKABMO CCc1ncc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cn1 ZINC000072358213 205334513 /nfs/dbraw/zinc/33/45/13/205334513.db2.gz HMKWWUFXEKAFQY-QFIPXVFZSA-N 1 1 392.934 5.015 40 0 GKABMO c1ccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cccc4ncccc34)n2)nc1 ZINC000072375733 205337421 /nfs/dbraw/zinc/33/74/21/205337421.db2.gz INJAGXWEBNCIAY-QFIPXVFZSA-N 1 1 381.483 5.106 40 0 GKABMO c1ccc(Nc2cccc([C@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072376042 205338528 /nfs/dbraw/zinc/33/85/28/205338528.db2.gz AYFXDHLDZMPMPH-NRFANRHFSA-N 1 1 395.510 5.148 40 0 GKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1Cl ZINC000225577364 206059040 /nfs/dbraw/zinc/05/90/40/206059040.db2.gz YQYGKUZTKCUSJW-UHFFFAOYSA-N 1 1 395.305 5.292 40 0 GKABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000257276132 206172053 /nfs/dbraw/zinc/17/20/53/206172053.db2.gz NSLOPCQNQKANQO-NRFANRHFSA-N 1 1 386.499 5.214 40 0 GKABMO Clc1ccc(Cc2ccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2)cc1 ZINC000257344686 206183694 /nfs/dbraw/zinc/18/36/94/206183694.db2.gz ZYHKQGOSLNQTTQ-HSZRJFAPSA-N 1 1 390.958 5.748 40 0 GKABMO CC1(C)Cc2ccccc2CN1c1cc(NC2CCCCC2)[nH+]c(C2CC2)n1 ZINC000329069428 206244470 /nfs/dbraw/zinc/24/44/70/206244470.db2.gz YXTHLBBXRJJWNJ-UHFFFAOYSA-N 1 1 376.548 5.440 40 0 GKABMO CC1(C)Cc2ccccc2CN1c1cc(NC2CCCCC2)nc(C2CC2)[nH+]1 ZINC000329069428 206244474 /nfs/dbraw/zinc/24/44/74/206244474.db2.gz YXTHLBBXRJJWNJ-UHFFFAOYSA-N 1 1 376.548 5.440 40 0 GKABMO Clc1ccc2c(c1)nccc2NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001687237 206389514 /nfs/dbraw/zinc/38/95/14/206389514.db2.gz SSXYXSMMVMVYEV-UHFFFAOYSA-N 1 1 383.282 5.614 40 0 in-vitro GKABMO c1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cs1 ZINC000019346369 207118310 /nfs/dbraw/zinc/11/83/10/207118310.db2.gz BANPSUIWARCLKP-GOSISDBHSA-N 1 1 382.485 5.249 40 0 GKABMO CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c1C ZINC000019523961 207127897 /nfs/dbraw/zinc/12/78/97/207127897.db2.gz NJPKHMYEUUCEHC-NRFANRHFSA-N 1 1 382.483 5.123 40 0 GKABMO CCn1ncc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c1C ZINC000019523961 207127901 /nfs/dbraw/zinc/12/79/01/207127901.db2.gz NJPKHMYEUUCEHC-NRFANRHFSA-N 1 1 382.483 5.123 40 0 GKABMO CCOc1ccc([C@@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000019532659 207131148 /nfs/dbraw/zinc/13/11/48/207131148.db2.gz GGTKCUJOSDLTRD-IERDGZPVSA-N 1 1 379.504 5.006 40 0 GKABMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)s1 ZINC000019691918 207148356 /nfs/dbraw/zinc/14/83/56/207148356.db2.gz SNONUFCCQHKNOP-JOCHJYFZSA-N 1 1 381.520 5.222 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)C1 ZINC000020452647 207192973 /nfs/dbraw/zinc/19/29/73/207192973.db2.gz NAZMGJWKHWROGJ-NRFANRHFSA-N 1 1 390.571 5.013 40 0 GKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000020455732 207194981 /nfs/dbraw/zinc/19/49/81/207194981.db2.gz HSSNKOYKEQORSX-VWLOTQADSA-N 1 1 384.523 5.126 40 0 GKABMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030945411 207376816 /nfs/dbraw/zinc/37/68/16/207376816.db2.gz BNDNJIRQOCSJHP-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO COC(c1ccccc1)(c1ccccc1)[C@H]1[C@H](c2ccccc2)[N@H+]1C1CCCCC1 ZINC000031719413 207384460 /nfs/dbraw/zinc/38/44/60/207384460.db2.gz JBAHSWIYXPCPOY-ZDCXKQOISA-N 1 1 397.562 6.335 40 0 GKABMO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072357721 208000535 /nfs/dbraw/zinc/00/05/35/208000535.db2.gz PWLGPCIMFGIJQW-JOCHJYFZSA-N 1 1 397.444 5.423 40 0 GKABMO c1ccc(Nc2ccc([C@@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)nc2)nc1 ZINC000072353351 208001063 /nfs/dbraw/zinc/00/10/63/208001063.db2.gz FZNSSVWLCYODPA-HXUWFJFHSA-N 1 1 395.510 5.148 40 0 GKABMO C[C@@H](C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1)c1ccccc1 ZINC000012129120 221156232 /nfs/dbraw/zinc/15/62/32/221156232.db2.gz SKYAGWWWQFFOHD-FFZOFVMBSA-N 1 1 381.470 5.334 40 0 GKABMO C[C@H](C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1)c1ccccc1 ZINC000012129126 221156741 /nfs/dbraw/zinc/15/67/41/221156741.db2.gz SKYAGWWWQFFOHD-LSTHTHJFSA-N 1 1 381.470 5.334 40 0 GKABMO Cc1ccccc1CC[N@@H+]1Cc2cc3ccccc3nc2O[C@@H](c2ccccc2)C1 ZINC000013563908 221273009 /nfs/dbraw/zinc/27/30/09/221273009.db2.gz HLVMCNMNXXKOEO-AREMUKBSSA-N 1 1 394.518 5.722 40 0 GKABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257272708 209064893 /nfs/dbraw/zinc/06/48/93/209064893.db2.gz NDMMPSVORZWQOZ-HSZRJFAPSA-N 1 1 387.527 5.160 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000226329677 136192674 /nfs/dbraw/zinc/19/26/74/136192674.db2.gz GLCXUZZPEGBYPV-IRXDYDNUSA-N 1 1 393.575 5.609 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N@@H+]1CCC[C@H](C)C1 ZINC000226330931 136192736 /nfs/dbraw/zinc/19/27/36/136192736.db2.gz QXJCYYOTHGGAGB-LBPRGKRZSA-N 1 1 392.330 5.373 40 0 GKABMO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N@H+]1CCC[C@H](C)C1 ZINC000226330931 136192737 /nfs/dbraw/zinc/19/27/37/136192737.db2.gz QXJCYYOTHGGAGB-LBPRGKRZSA-N 1 1 392.330 5.373 40 0 GKABMO CCSc1ccc2c(c1)N(CCC[NH+]1CCN(C)CC1)c1ccccc1S2 ZINC000022446674 136202795 /nfs/dbraw/zinc/20/27/95/136202795.db2.gz XCTYLCDETUVOIP-UHFFFAOYSA-N 1 1 399.629 5.039 40 0 world GKABMO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072348827 222235430 /nfs/dbraw/zinc/23/54/30/222235430.db2.gz UFUMPASZULEAEZ-HXUWFJFHSA-N 1 1 377.919 5.100 40 0 GKABMO Clc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348957 222235543 /nfs/dbraw/zinc/23/55/43/222235543.db2.gz SUUBIGGYMZAJGU-IBGZPJMESA-N 1 1 377.919 5.100 40 0 GKABMO FC(F)(F)c1cccc(-c2cccc([C@H]3CCC[N@H+](C4CCOCC4)C3)n2)c1 ZINC000072350087 222236343 /nfs/dbraw/zinc/23/63/43/222236343.db2.gz YKSKVERHMOVARM-KRWDZBQOSA-N 1 1 390.449 5.126 40 0 GKABMO O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408608978 534747216 /nfs/dbraw/zinc/74/72/16/534747216.db2.gz NHRXLNVMXYBAAI-XMMPIXPASA-N 1 1 396.534 5.017 40 0 GKABMO O=C(c1ccccc1-c1ccccc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408607299 534747259 /nfs/dbraw/zinc/74/72/59/534747259.db2.gz KRKCDMIYJCVXBS-UHFFFAOYSA-N 1 1 396.534 5.017 40 0 GKABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCC4)C=C3C)[nH]c2c1 ZINC000077262127 560046755 /nfs/dbraw/zinc/04/67/55/560046755.db2.gz QYROSRSYBGYZGK-WFXMLNOXSA-N 1 1 381.564 5.111 40 0 biogenic,in-vitro GKABMO FC(F)(F)c1ccc(C[N@H+]2CCC[C@]23CCCN(Cc2ccccc2)C3)cc1 ZINC000096214642 570219574 /nfs/dbraw/zinc/21/95/74/570219574.db2.gz URTYMLSTBDTOAG-QFIPXVFZSA-N 1 1 388.477 5.336 40 0 GKABMO FC(F)(F)c1ccc(CN2CCC[C@]23CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000096214642 570219576 /nfs/dbraw/zinc/21/95/76/570219576.db2.gz URTYMLSTBDTOAG-QFIPXVFZSA-N 1 1 388.477 5.336 40 0 GKABMO FC(F)(F)c1ccc(CN2CCC[C@]23CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000096214642 570219577 /nfs/dbraw/zinc/21/95/77/570219577.db2.gz URTYMLSTBDTOAG-QFIPXVFZSA-N 1 1 388.477 5.336 40 0 GKABMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000005163798 570245871 /nfs/dbraw/zinc/24/58/71/570245871.db2.gz IFBKQBARPJGXJC-OYDLWJJNSA-N 1 1 383.507 5.093 40 0 GKABMO O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020491199 570263108 /nfs/dbraw/zinc/26/31/08/570263108.db2.gz RTXHIEOWWNRSIN-SANMLTNESA-N 1 1 396.534 5.052 40 0 GKABMO C[C@@H]1CCCC[N@H+]1Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000216840742 570306538 /nfs/dbraw/zinc/30/65/38/570306538.db2.gz MZTBXAWZXMFYAO-CQSZACIVSA-N 1 1 385.305 5.632 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C1 ZINC000216840823 570306590 /nfs/dbraw/zinc/30/65/90/570306590.db2.gz KBARSGRWXKXHBJ-CQSZACIVSA-N 1 1 385.305 5.489 40 0 GKABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215643 570313727 /nfs/dbraw/zinc/31/37/27/570313727.db2.gz XNRDLSGYPAPHIK-FQEVSTJZSA-N 1 1 387.568 5.701 40 0 GKABMO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214525 570314438 /nfs/dbraw/zinc/31/44/38/570314438.db2.gz YOMSQCMNJGGLAC-HXUWFJFHSA-N 1 1 381.520 5.180 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214702 570314753 /nfs/dbraw/zinc/31/47/53/570314753.db2.gz ARELWYLBFCFEOS-LJQANCHMSA-N 1 1 375.557 5.560 40 0 GKABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214608 570314793 /nfs/dbraw/zinc/31/47/93/570314793.db2.gz ADZULHKLTJBYAS-HXUWFJFHSA-N 1 1 381.520 5.180 40 0 GKABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214847 570314916 /nfs/dbraw/zinc/31/49/16/570314916.db2.gz KTCFOJUQAIFQAA-NRFANRHFSA-N 1 1 395.547 5.569 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214883 570315126 /nfs/dbraw/zinc/31/51/26/570315126.db2.gz DAIMBFUSOCQCIY-IBGZPJMESA-N 1 1 375.557 5.559 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CCCC)cn1 ZINC000072215002 570315410 /nfs/dbraw/zinc/31/54/10/570315410.db2.gz JOHJGGCBHUFYAA-HXUWFJFHSA-N 1 1 389.584 5.950 40 0 GKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215581 570315703 /nfs/dbraw/zinc/31/57/03/570315703.db2.gz UORLYTLUZJUJOS-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215261 570315763 /nfs/dbraw/zinc/31/57/63/570315763.db2.gz BBPQBFQFULUFJU-PKOBYXMFSA-N 1 1 375.557 5.559 40 0 GKABMO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1)C1CC1 ZINC000072215312 570315796 /nfs/dbraw/zinc/31/57/96/570315796.db2.gz MDBSQJGOYQAYJC-OAQYLSRUSA-N 1 1 393.531 5.323 40 0 GKABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215238 570315881 /nfs/dbraw/zinc/31/58/81/570315881.db2.gz HEFNSROWNHATNS-HKUYNNGSSA-N 1 1 375.557 5.559 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072215269 570315887 /nfs/dbraw/zinc/31/58/87/570315887.db2.gz USZZUPMZZKFOGZ-UYAOXDASSA-N 1 1 389.584 5.805 40 0 GKABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215822 570316477 /nfs/dbraw/zinc/31/64/77/570316477.db2.gz UTWUDCFQKIDDQE-OAQYLSRUSA-N 1 1 395.547 6.090 40 0 GKABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215758 570316562 /nfs/dbraw/zinc/31/65/62/570316562.db2.gz FTEKJTVHUMHHDV-HXUWFJFHSA-N 1 1 387.568 5.703 40 0 GKABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215823 570316618 /nfs/dbraw/zinc/31/66/18/570316618.db2.gz UTWUDCFQKIDDQE-NRFANRHFSA-N 1 1 395.547 6.090 40 0 GKABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215864 570316913 /nfs/dbraw/zinc/31/69/13/570316913.db2.gz QCTSQUDMJQLSRC-FQEVSTJZSA-N 1 1 381.520 5.702 40 0 GKABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215880 570317104 /nfs/dbraw/zinc/31/71/04/570317104.db2.gz REDUNEXCKNNHNS-OAQYLSRUSA-N 1 1 395.547 6.092 40 0 GKABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215878 570317153 /nfs/dbraw/zinc/31/71/53/570317153.db2.gz AUYBUVJPXHLMDR-HXUWFJFHSA-N 1 1 381.520 5.702 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)C1 ZINC000022516202 570319344 /nfs/dbraw/zinc/31/93/44/570319344.db2.gz XTPGQMBMLITVMU-CQSZACIVSA-N 1 1 377.315 5.478 40 0 GKABMO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc1 ZINC000585169577 570320043 /nfs/dbraw/zinc/32/00/43/570320043.db2.gz HLLSWNQLBVPWBK-FQEVSTJZSA-N 1 1 395.934 5.126 40 0 GKABMO CCN(CC)CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022075037 570321240 /nfs/dbraw/zinc/32/12/40/570321240.db2.gz UVFXHANJMARLNQ-UHFFFAOYSA-N 1 1 381.347 5.004 40 0 GKABMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934755 570322518 /nfs/dbraw/zinc/32/25/18/570322518.db2.gz ALHFAOPHNIFHSO-QUCCMNQESA-N 1 1 384.951 5.046 40 0 GKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)c(C)c1 ZINC000219239094 570350400 /nfs/dbraw/zinc/35/04/00/570350400.db2.gz GMPMMWYXWIIURO-KOSHJBKYSA-N 1 1 378.560 5.416 40 0 GKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)c(C)c1 ZINC000219239035 570350481 /nfs/dbraw/zinc/35/04/81/570350481.db2.gz GMPMMWYXWIIURO-HOYKHHGWSA-N 1 1 378.560 5.416 40 0 GKABMO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118917271 570367657 /nfs/dbraw/zinc/36/76/57/570367657.db2.gz JVKYZPBMZPJNAJ-INULWVDGSA-N 1 1 397.647 5.655 40 0 GKABMO Cc1ccc([C@@](O)(c2ccccc2)[C@H]2[C@H](c3ccccc3)[N@H+]2C2CCCCC2)cc1 ZINC000004742961 570401323 /nfs/dbraw/zinc/40/13/23/570401323.db2.gz HRBNJDCFKNWDAL-ALPTWIEUSA-N 1 1 397.562 5.989 40 0 GKABMO C[N@H+]1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000004867211 570413970 /nfs/dbraw/zinc/41/39/70/570413970.db2.gz JABONFOKZVPFLG-JWQCQUIFSA-N 1 1 379.503 5.572 40 0 GKABMO O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004883225 570415457 /nfs/dbraw/zinc/41/54/57/570415457.db2.gz GLUFPNJPUCWBFC-MQVJKMGUSA-N 1 1 389.952 5.109 40 0 GKABMO CCOc1ccc([C@](O)(CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)Cc2ccccc2)cc1 ZINC000004934838 570418633 /nfs/dbraw/zinc/41/86/33/570418633.db2.gz BBZDVRBAVMFHAA-KJOQGJGQSA-N 1 1 393.571 5.028 40 0 GKABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1Cl ZINC000222945411 570432592 /nfs/dbraw/zinc/43/25/92/570432592.db2.gz METUXRFBRJXXDY-UHFFFAOYSA-N 1 1 394.689 5.037 40 0 GKABMO CCCC[C@H](CC)C[C@@H](CC)C[N@H+](CCO)C[C@@H](CC)C[C@@H](CC)CCCC ZINC000005298610 570433610 /nfs/dbraw/zinc/43/36/10/570433610.db2.gz BZWSJGSYMPLHGS-ASDGIDEWSA-N 1 1 397.732 7.546 40 0 GKABMO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039753176 570447404 /nfs/dbraw/zinc/44/74/04/570447404.db2.gz XNNIGAZJKXGDDU-UHFFFAOYSA-N 1 1 395.305 5.292 40 0 GKABMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039755695 570447986 /nfs/dbraw/zinc/44/79/86/570447986.db2.gz ZMOVQHSAKLNCEV-UHFFFAOYSA-N 1 1 399.268 5.122 40 0 GKABMO COc1cc2c(cc1OC)[C@H]1CC(c3ccccc3)=C(c3ccccc3)C[N@H+]1CC2 ZINC000005639719 570449951 /nfs/dbraw/zinc/44/99/51/570449951.db2.gz KEENRRJPMVGIPA-RUZDIDTESA-N 1 1 397.518 5.618 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028221044 570452651 /nfs/dbraw/zinc/45/26/51/570452651.db2.gz SLYVGIMHKHSJII-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220694 570452793 /nfs/dbraw/zinc/45/27/93/570452793.db2.gz PPMNAZBZKZOOGX-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2C)C3)cc1 ZINC000035289487 570454554 /nfs/dbraw/zinc/45/45/54/570454554.db2.gz AOLVMMRWONOORS-FRIKZZABSA-N 1 1 377.532 5.011 40 0 GKABMO CC(C)[N@@H+](CCOc1ccccc1Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000005962890 570463510 /nfs/dbraw/zinc/46/35/10/570463510.db2.gz JYNROYWSNGVCPT-VWLOTQADSA-N 1 1 389.539 5.100 40 0 GKABMO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000223458793 570467488 /nfs/dbraw/zinc/46/74/88/570467488.db2.gz MLBFKTYYLFBKAT-DYESRHJHSA-N 1 1 378.560 5.335 40 0 GKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030941340 570501318 /nfs/dbraw/zinc/50/13/18/570501318.db2.gz KHFIPQGJYKPQEJ-NRFANRHFSA-N 1 1 386.495 5.330 40 0 GKABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030938662 570501392 /nfs/dbraw/zinc/50/13/92/570501392.db2.gz DGMJHJREIJGBQG-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000030937977 570501437 /nfs/dbraw/zinc/50/14/37/570501437.db2.gz WLYFPPFIWZCTDD-UHFFFAOYSA-N 1 1 399.519 5.643 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)C1 ZINC000224335238 570509741 /nfs/dbraw/zinc/50/97/41/570509741.db2.gz ZBZJMWLCGFYQNB-GOSISDBHSA-N 1 1 384.523 5.423 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)C1 ZINC000224334102 570509769 /nfs/dbraw/zinc/50/97/69/570509769.db2.gz RATSHPHQVCCXEN-GOSISDBHSA-N 1 1 398.506 6.070 40 0 GKABMO CN(C)c1ccc(-c2[nH+]c3ccc(Br)cn3c2NC(C)(C)C)cc1 ZINC000000904277 570515200 /nfs/dbraw/zinc/51/52/00/570515200.db2.gz YRGFYEVUMOBGPK-UHFFFAOYSA-N 1 1 387.325 5.040 40 0 GKABMO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224538139 570517352 /nfs/dbraw/zinc/51/73/52/570517352.db2.gz IDQYJOYXXYMFPN-MRXNPFEDSA-N 1 1 399.406 5.538 40 0 GKABMO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544611 570517614 /nfs/dbraw/zinc/51/76/14/570517614.db2.gz GRKRTGWZDAGPAN-INIZCTEOSA-N 1 1 399.406 5.538 40 0 GKABMO CN(CCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)c1ccc(Cl)cc1 ZINC000008406515 570531031 /nfs/dbraw/zinc/53/10/31/570531031.db2.gz HKTKHNMEOBTLQR-UHFFFAOYSA-N 1 1 388.298 5.116 40 0 GKABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000038179450 570578753 /nfs/dbraw/zinc/57/87/53/570578753.db2.gz IQLZCASNMJLIBW-UROCCOEBSA-N 1 1 377.915 5.676 40 0 GKABMO Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833167 570585055 /nfs/dbraw/zinc/58/50/55/570585055.db2.gz FESUMPRURGWKRH-HNNXBMFYSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833167 570585058 /nfs/dbraw/zinc/58/50/58/570585058.db2.gz FESUMPRURGWKRH-HNNXBMFYSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000038833343 570585071 /nfs/dbraw/zinc/58/50/71/570585071.db2.gz GJHWMFHZTKRGFU-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000038833343 570585073 /nfs/dbraw/zinc/58/50/73/570585073.db2.gz GJHWMFHZTKRGFU-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000038833609 570585084 /nfs/dbraw/zinc/58/50/84/570585084.db2.gz RYDPQCIKDJSWRE-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833758 570585148 /nfs/dbraw/zinc/58/51/48/570585148.db2.gz BWQWHUJSPKLWMN-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833758 570585151 /nfs/dbraw/zinc/58/51/51/570585151.db2.gz BWQWHUJSPKLWMN-CQSZACIVSA-N 1 1 397.733 5.498 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000038833591 570585158 /nfs/dbraw/zinc/58/51/58/570585158.db2.gz SJLBFNQOLSWEEU-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000038833591 570585159 /nfs/dbraw/zinc/58/51/59/570585159.db2.gz SJLBFNQOLSWEEU-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833405 570585166 /nfs/dbraw/zinc/58/51/66/570585166.db2.gz GJHHWNIQNXNUMC-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833405 570585170 /nfs/dbraw/zinc/58/51/70/570585170.db2.gz GJHHWNIQNXNUMC-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038833417 570585228 /nfs/dbraw/zinc/58/52/28/570585228.db2.gz FHRFSNIUGXUXEO-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833404 570585250 /nfs/dbraw/zinc/58/52/50/570585250.db2.gz GJHHWNIQNXNUMC-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833404 570585252 /nfs/dbraw/zinc/58/52/52/570585252.db2.gz GJHHWNIQNXNUMC-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000038833596 570585274 /nfs/dbraw/zinc/58/52/74/570585274.db2.gz RZSPGENZHKBREF-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000038833596 570585275 /nfs/dbraw/zinc/58/52/75/570585275.db2.gz RZSPGENZHKBREF-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038833546 570585311 /nfs/dbraw/zinc/58/53/11/570585311.db2.gz GDAUVMWPPMRFIO-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038833833 570585647 /nfs/dbraw/zinc/58/56/47/570585647.db2.gz WIOMAXCIELDZOO-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834389 570585781 /nfs/dbraw/zinc/58/57/81/570585781.db2.gz MTCRHBKOMXRTHQ-NRFANRHFSA-N 1 1 386.495 5.330 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833871 570585820 /nfs/dbraw/zinc/58/58/20/570585820.db2.gz YECZXATXWUCUJJ-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833871 570585822 /nfs/dbraw/zinc/58/58/22/570585822.db2.gz YECZXATXWUCUJJ-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1C ZINC000038835188 570586563 /nfs/dbraw/zinc/58/65/63/570586563.db2.gz KSSCTDLANGSKQN-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1C ZINC000038835188 570586566 /nfs/dbraw/zinc/58/65/66/570586566.db2.gz KSSCTDLANGSKQN-MRXNPFEDSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038835004 570586612 /nfs/dbraw/zinc/58/66/12/570586612.db2.gz VSGALDBOFXHUQC-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038835446 570586625 /nfs/dbraw/zinc/58/66/25/570586625.db2.gz BVGPTHPGVOOCKK-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000038835044 570586694 /nfs/dbraw/zinc/58/66/94/570586694.db2.gz HFHSXKGEYHHBIQ-CQSZACIVSA-N 1 1 377.315 5.478 40 0 GKABMO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038835274 570586701 /nfs/dbraw/zinc/58/67/01/570586701.db2.gz MZYSZPSUMHJDSX-QGZVFWFLSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038835274 570586703 /nfs/dbraw/zinc/58/67/03/570586703.db2.gz MZYSZPSUMHJDSX-QGZVFWFLSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849499 570587685 /nfs/dbraw/zinc/58/76/85/570587685.db2.gz VSTFJVAVHLSXFE-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000038850698 570587790 /nfs/dbraw/zinc/58/77/90/570587790.db2.gz IQGBMKQQHWDEFO-UHFFFAOYSA-N 1 1 397.478 5.071 40 0 GKABMO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849494 570587794 /nfs/dbraw/zinc/58/77/94/570587794.db2.gz SPNBKJVYRBDDQT-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903943 570632144 /nfs/dbraw/zinc/63/21/44/570632144.db2.gz AJHVVNNCJMTXJI-OAQYLSRUSA-N 1 1 392.930 5.022 40 0 GKABMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000225907655 570632687 /nfs/dbraw/zinc/63/26/87/570632687.db2.gz JTSRQCNOSVMAIE-OAHLLOKOSA-N 1 1 395.305 5.008 40 0 GKABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NCc2ccc(F)cc2)cc1OC ZINC000004848468 570634879 /nfs/dbraw/zinc/63/48/79/570634879.db2.gz RYFCTUPUQJJAKQ-UHFFFAOYSA-N 1 1 391.446 5.078 40 0 GKABMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)CCCC ZINC000004712852 570636062 /nfs/dbraw/zinc/63/60/62/570636062.db2.gz WEOCXFUEIUWOBH-LGTXBLIGSA-N 1 1 393.615 6.922 40 0 GKABMO CCCCC[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)CCCC ZINC000004712855 570636614 /nfs/dbraw/zinc/63/66/14/570636614.db2.gz WEOCXFUEIUWOBH-GWMMUDDPSA-N 1 1 393.615 6.922 40 0 GKABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1C ZINC000044856615 570637198 /nfs/dbraw/zinc/63/71/98/570637198.db2.gz GDRCUYJHJXRGMW-OFNKIYASSA-N 1 1 398.978 5.436 40 0 GKABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2cccc(C)c2)C3)cc1 ZINC000004857237 570638391 /nfs/dbraw/zinc/63/83/91/570638391.db2.gz VMYTVQUHBFQKHZ-NOTZXAQLSA-N 1 1 393.600 5.176 40 0 GKABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccc(C)cc2)C3)cc1 ZINC000004857242 570638408 /nfs/dbraw/zinc/63/84/08/570638408.db2.gz NNWDZGAUMIUURX-NOTZXAQLSA-N 1 1 393.600 5.176 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1 ZINC000044917315 570643313 /nfs/dbraw/zinc/64/33/13/570643313.db2.gz GDHHOXGYJFKXRS-IBGZPJMESA-N 1 1 392.543 5.492 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000044937752 570644242 /nfs/dbraw/zinc/64/42/42/570644242.db2.gz AEWSOFCQGIDDSI-VWLOTQADSA-N 1 1 395.506 5.068 40 0 GKABMO Clc1ccc(-c2ccc(C[NH2+]Cc3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 ZINC000048508582 570659234 /nfs/dbraw/zinc/65/92/34/570659234.db2.gz JVVGVPSVYCOGIJ-UHFFFAOYSA-N 1 1 398.289 6.803 40 0 GKABMO CCCCc1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717221 570681525 /nfs/dbraw/zinc/68/15/25/570681525.db2.gz SEKNDIOUFCEERD-DFBJGRDBSA-N 1 1 380.576 5.992 40 0 GKABMO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1C[N@@H+](Cc1ccccn1)C1CCCC1 ZINC000012670697 570697419 /nfs/dbraw/zinc/69/74/19/570697419.db2.gz MQWQMPOGCSRPEW-UHFFFAOYSA-N 1 1 393.918 5.035 40 0 GKABMO Clc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000013562964 570851849 /nfs/dbraw/zinc/85/18/49/570851849.db2.gz JONOYXATECIXQY-ILBGXUMGSA-N 1 1 390.958 5.488 40 0 GKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(C(C)C)cc2)cc1OC ZINC000013989911 570868341 /nfs/dbraw/zinc/86/83/41/570868341.db2.gz RHBHRLPVIWYIOI-UHFFFAOYSA-N 1 1 390.527 5.425 40 0 GKABMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C ZINC000044856303 570914561 /nfs/dbraw/zinc/91/45/61/570914561.db2.gz HXMIHKHDUSTAHV-NQIIRXRSSA-N 1 1 384.951 5.046 40 0 GKABMO Fc1cc(Br)ccc1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000199826193 570951415 /nfs/dbraw/zinc/95/14/15/570951415.db2.gz YRLNQCXMUYQNGU-UHFFFAOYSA-N 1 1 384.292 5.791 40 0 GKABMO Clc1ccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@@H]3CCCC[N@H+]23)cc1 ZINC000019329018 570975056 /nfs/dbraw/zinc/97/50/56/570975056.db2.gz LVRGUQOBRYEEEZ-WWNPGLIZSA-N 1 1 377.919 5.287 40 0 GKABMO Clc1ccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@@H]3CCCC[N@@H+]23)cc1 ZINC000019329018 570975060 /nfs/dbraw/zinc/97/50/60/570975060.db2.gz LVRGUQOBRYEEEZ-WWNPGLIZSA-N 1 1 377.919 5.287 40 0 GKABMO c1csc(C[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)c2nccs2)c1 ZINC000019330899 570975129 /nfs/dbraw/zinc/97/51/29/570975129.db2.gz OOEYRLKJQZOTJU-FQEVSTJZSA-N 1 1 384.570 5.600 40 0 GKABMO c1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cs1 ZINC000019346367 570978163 /nfs/dbraw/zinc/97/81/63/570978163.db2.gz BANPSUIWARCLKP-SFHVURJKSA-N 1 1 382.485 5.249 40 0 GKABMO Fc1ccc([C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccccc2Cl)cc1 ZINC000019348730 570978641 /nfs/dbraw/zinc/97/86/41/570978641.db2.gz SHQIWYSRIHREON-JTHBVZDNSA-N 1 1 396.893 5.059 40 0 GKABMO Fc1ccc([C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccccc2Cl)cc1 ZINC000019348730 570978646 /nfs/dbraw/zinc/97/86/46/570978646.db2.gz SHQIWYSRIHREON-JTHBVZDNSA-N 1 1 396.893 5.059 40 0 GKABMO CC[NH+](CC)CCN[C@@H](Cc1ccccc1)c1c(OC)ccc2ccccc21 ZINC000019365922 570980100 /nfs/dbraw/zinc/98/01/00/570980100.db2.gz VXBYQZLOAQYNKN-QHCPKHFHSA-N 1 1 376.544 5.064 40 0 GKABMO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@H+]2Cc2ccccc2F)n1 ZINC000019525608 570997233 /nfs/dbraw/zinc/99/72/33/570997233.db2.gz PHKCFBVDEGJMGS-QFIPXVFZSA-N 1 1 390.506 5.357 40 0 GKABMO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccc(C(C)C)cc2)c1C ZINC000019557944 571003997 /nfs/dbraw/zinc/00/39/97/571003997.db2.gz LBDXQRGBKBDNSI-NRFANRHFSA-N 1 1 378.520 5.532 40 0 GKABMO Cc1c(C[N@H+]2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cnn1C ZINC000019690879 571029180 /nfs/dbraw/zinc/02/91/80/571029180.db2.gz OHNZUEQGJCCVMR-QHCPKHFHSA-N 1 1 394.950 5.013 40 0 GKABMO O=C1CC2=C[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@H]2S1 ZINC000095708204 571094281 /nfs/dbraw/zinc/09/42/81/571094281.db2.gz XIFAJGMIPXJJEJ-XMMPIXPASA-N 1 1 397.543 5.600 40 0 GKABMO Brc1ccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000095871169 571094867 /nfs/dbraw/zinc/09/48/67/571094867.db2.gz RUWZBENSISVWOW-UHFFFAOYSA-N 1 1 394.312 5.302 40 0 GKABMO Cc1cccc(N2C(=O)c3ccccc3[C@@]2(c2ccccc2)[NH+]2CCCCC2)c1 ZINC000095934862 571095606 /nfs/dbraw/zinc/09/56/06/571095606.db2.gz FJXXERDPFBFNAF-SANMLTNESA-N 1 1 382.507 5.342 40 0 GKABMO Fc1ccc([C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)cc1 ZINC000019333673 210242327 /nfs/dbraw/zinc/24/23/27/210242327.db2.gz JFRBHYRFRWXIMT-XZOQPEGZSA-N 1 1 396.893 5.059 40 0 GKABMO Cc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000019208456 210228446 /nfs/dbraw/zinc/22/84/46/210228446.db2.gz CSBLDOHYDLMUIZ-WPUZRXDDSA-N 1 1 389.543 5.009 40 0 GKABMO CC[NH+](CC)CCC[C@H](C)Nc1cc(-c2ccccc2)nc2ccc(OC)cc21 ZINC000001686981 212253922 /nfs/dbraw/zinc/25/39/22/212253922.db2.gz JQPKHUXJENEBIZ-IBGZPJMESA-N 1 1 391.559 5.833 40 0 GKABMO C[C@H]1CCCC[N@H+]1Cc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216827122 212106642 /nfs/dbraw/zinc/10/66/42/212106642.db2.gz GSBAVTANHXFNNR-AWEZNQCLSA-N 1 1 385.305 5.632 40 0 GKABMO CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CCCCC2)[nH+]1 ZINC000329001412 212092434 /nfs/dbraw/zinc/09/24/34/212092434.db2.gz KEGCOJWGYYXZGQ-UHFFFAOYSA-N 1 1 378.564 5.108 40 0 GKABMO CC(C)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004886136 204087060 /nfs/dbraw/zinc/08/70/60/204087060.db2.gz VNTTWFCIBRCOIR-NOTZXAQLSA-N 1 1 377.532 5.127 40 0 GKABMO CCCC[N@@H+]1[C@@]2(C)c3c(c(C)c4c(C)c(C)c(C)c(C)c4c3C)[C@]1(C)C(C)=C2C ZINC000004565680 204053844 /nfs/dbraw/zinc/05/38/44/204053844.db2.gz KWXAXOQXLAHQDC-HNRBIFIRSA-N 1 1 389.627 7.586 40 0 GKABMO CCCC[N@H+]1[C@@]2(C)c3c(c(C)c4c(C)c(C)c(C)c(C)c4c3C)[C@]1(C)C(C)=C2C ZINC000004565680 204053846 /nfs/dbraw/zinc/05/38/46/204053846.db2.gz KWXAXOQXLAHQDC-HNRBIFIRSA-N 1 1 389.627 7.586 40 0 GKABMO CCCCOc1ccc(/C(=C\C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004958172 204095839 /nfs/dbraw/zinc/09/58/39/204095839.db2.gz ZCZQGMONSGZTPU-PCVWMGQLSA-N 1 1 389.583 6.419 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C1 ZINC000216840854 209178914 /nfs/dbraw/zinc/17/89/14/209178914.db2.gz KBARSGRWXKXHBJ-AWEZNQCLSA-N 1 1 385.305 5.489 40 0 GKABMO CC1(C)CN(c2cc(NC3CCCCC3)[nH+]c(C3CC3)n2)Cc2ccccc21 ZINC000329058950 209159874 /nfs/dbraw/zinc/15/98/74/209159874.db2.gz WDVFITAQQNMLFR-UHFFFAOYSA-N 1 1 376.548 5.396 40 0 GKABMO CC1(C)CN(c2cc(NC3CCCCC3)nc(C3CC3)[nH+]2)Cc2ccccc21 ZINC000329058950 209159876 /nfs/dbraw/zinc/15/98/76/209159876.db2.gz WDVFITAQQNMLFR-UHFFFAOYSA-N 1 1 376.548 5.396 40 0 GKABMO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038853588 205040456 /nfs/dbraw/zinc/04/04/56/205040456.db2.gz HTEFYJHHLIYHND-UHFFFAOYSA-N 1 1 399.268 5.122 40 0 GKABMO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833647 205038625 /nfs/dbraw/zinc/03/86/25/205038625.db2.gz DUYZZJJUWQTMIN-KRWDZBQOSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833647 205038628 /nfs/dbraw/zinc/03/86/28/205038628.db2.gz DUYZZJJUWQTMIN-KRWDZBQOSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1nn(C(C)C)c(C)c1C[N@H+](CCCn1ccnc1)Cc1ccccc1Cl ZINC000043277793 205083749 /nfs/dbraw/zinc/08/37/49/205083749.db2.gz AISMFFHAXLAOII-UHFFFAOYSA-N 1 1 399.970 5.023 40 0 GKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+](CCCn1ccnc1)Cc1ccccc1Cl ZINC000043277793 205083753 /nfs/dbraw/zinc/08/37/53/205083753.db2.gz AISMFFHAXLAOII-UHFFFAOYSA-N 1 1 399.970 5.023 40 0 GKABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935599 205090562 /nfs/dbraw/zinc/09/05/62/205090562.db2.gz NFACPVZLNYPVAJ-IFMALSPDSA-N 1 1 384.951 5.128 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC000224879847 206031366 /nfs/dbraw/zinc/03/13/66/206031366.db2.gz GOVOQMPPNBOELM-HNNXBMFYSA-N 1 1 392.421 5.069 40 0 GKABMO CC(C)(C)C[N@H+]1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000257216749 206161396 /nfs/dbraw/zinc/16/13/96/206161396.db2.gz CVXFMSUXOFJUEO-IBGZPJMESA-N 1 1 390.493 5.917 40 0 GKABMO Clc1ccc(Cc2ccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2)cc1 ZINC000257344687 206183055 /nfs/dbraw/zinc/18/30/55/206183055.db2.gz ZYHKQGOSLNQTTQ-QHCPKHFHSA-N 1 1 390.958 5.748 40 0 GKABMO O=C(CN(c1ccccc1)C1=[NH+]CCCCC1)c1ccc(Br)cc1 ZINC000008436111 206223923 /nfs/dbraw/zinc/22/39/23/206223923.db2.gz KTPWUSQFSMIZBN-UHFFFAOYSA-N 1 1 385.305 5.111 40 0 GKABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nnn3cc(-c4cccc(F)c4)ccc23)cc1 ZINC000096156566 211314468 /nfs/dbraw/zinc/31/44/68/211314468.db2.gz QRDSGGFHTAIRRB-QFIPXVFZSA-N 1 1 386.474 5.181 40 0 GKABMO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000096071371 211299500 /nfs/dbraw/zinc/29/95/00/211299500.db2.gz WMLMAIFNLNJFBZ-JOCHJYFZSA-N 1 1 383.923 5.003 40 0 GKABMO Clc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)c1 ZINC000072380372 211107793 /nfs/dbraw/zinc/10/77/93/211107793.db2.gz HKQCKKDZOQNOLT-QFIPXVFZSA-N 1 1 388.902 5.615 40 0 GKABMO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000072357672 211099027 /nfs/dbraw/zinc/09/90/27/211099027.db2.gz WMWSLPKHIYTCRD-JOCHJYFZSA-N 1 1 397.444 5.423 40 0 GKABMO CCCCOc1ccc(/C(=C/C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000017378394 207089608 /nfs/dbraw/zinc/08/96/08/207089608.db2.gz ZCZQGMONSGZTPU-NONDXZSFSA-N 1 1 389.583 6.419 40 0 GKABMO Cc1nccn1-c1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)cc1 ZINC000019210142 207106681 /nfs/dbraw/zinc/10/66/81/207106681.db2.gz REMHZTXCIPIUDO-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO COc1ccc2[nH]c(C[NH2+][C@H](Cc3ccsc3)c3nc(C)cs3)c(C)c2c1 ZINC000019240212 207111756 /nfs/dbraw/zinc/11/17/56/207111756.db2.gz XGIDYKBCKGYXIE-LJQANCHMSA-N 1 1 397.569 5.385 40 0 GKABMO Fc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2c2cc(C(F)F)n[nH]2)cc1 ZINC000019349444 207117517 /nfs/dbraw/zinc/11/75/17/207117517.db2.gz LZZGRHBDABGIIZ-DLBZAZTESA-N 1 1 389.396 5.009 40 0 GKABMO Cc1nc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(OC(C)C)cc2)sc1C ZINC000019559888 207134223 /nfs/dbraw/zinc/13/42/23/207134223.db2.gz AYQLXQUQJVXXLU-FQEVSTJZSA-N 1 1 386.586 5.682 40 0 GKABMO Cc1c(Cl)cc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c(N)c1C ZINC000019577229 207138891 /nfs/dbraw/zinc/13/88/91/207138891.db2.gz FQQJXOQWJSTKBP-MRXNPFEDSA-N 1 1 377.966 5.131 40 0 GKABMO Cc1c(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c(-c2ccccc2)nn1C ZINC000019658570 207146268 /nfs/dbraw/zinc/14/62/68/207146268.db2.gz GLBRNIBIYXVGPA-HXUWFJFHSA-N 1 1 388.540 5.342 40 0 GKABMO Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833162 207562176 /nfs/dbraw/zinc/56/21/76/207562176.db2.gz XSTFVRTUTFEBHS-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833162 207562178 /nfs/dbraw/zinc/56/21/78/207562178.db2.gz XSTFVRTUTFEBHS-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 ZINC000072358108 208002195 /nfs/dbraw/zinc/00/21/95/208002195.db2.gz KIZFIDYXOQWWQU-SANMLTNESA-N 1 1 399.538 5.276 40 0 GKABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1 ZINC000072370047 208005984 /nfs/dbraw/zinc/00/59/84/208005984.db2.gz PLENARUWAHMHBG-HSZRJFAPSA-N 1 1 378.495 5.140 40 0 GKABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375732 208007417 /nfs/dbraw/zinc/00/74/17/208007417.db2.gz OQFQNGUGHHEKPI-IBGZPJMESA-N 1 1 394.544 5.244 40 0 GKABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)c1 ZINC000257201190 209053944 /nfs/dbraw/zinc/05/39/44/209053944.db2.gz AGRPCNZVUIQDRC-OAQYLSRUSA-N 1 1 392.493 5.639 40 0 GKABMO COc1ccc(CC[N@H+]2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)cc1 ZINC000257245665 209059290 /nfs/dbraw/zinc/05/92/90/209059290.db2.gz IQNOEVCELXKTPK-DEOSSOPVSA-N 1 1 386.539 5.103 40 0 GKABMO COc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007523681 221000266 /nfs/dbraw/zinc/00/02/66/221000266.db2.gz KTBUJWUZHYRGMG-UHFFFAOYSA-N 1 1 392.282 5.464 40 0 GKABMO CCOc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1ccccc1 ZINC000008325508 221037080 /nfs/dbraw/zinc/03/70/80/221037080.db2.gz LUADNWYYECFRFW-UHFFFAOYSA-N 1 1 381.903 5.608 40 0 GKABMO COc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1ccc(F)cc1 ZINC000008495402 221043256 /nfs/dbraw/zinc/04/32/56/221043256.db2.gz GVJVEBOHXXFEPL-UHFFFAOYSA-N 1 1 385.866 5.357 40 0 GKABMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038833662 221884584 /nfs/dbraw/zinc/88/45/84/221884584.db2.gz HBNVMQBQXOZXQE-UHFFFAOYSA-N 1 1 391.342 5.407 40 0 GKABMO Clc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072348828 222234177 /nfs/dbraw/zinc/23/41/77/222234177.db2.gz UFUMPASZULEAEZ-FQEVSTJZSA-N 1 1 377.919 5.100 40 0 GKABMO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348956 222234910 /nfs/dbraw/zinc/23/49/10/222234910.db2.gz SUUBIGGYMZAJGU-LJQANCHMSA-N 1 1 377.919 5.100 40 0 GKABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072354563 222238344 /nfs/dbraw/zinc/23/83/44/222238344.db2.gz MFGFDXNEZYFKEE-IBGZPJMESA-N 1 1 398.432 5.082 40 0 GKABMO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357689 222240031 /nfs/dbraw/zinc/24/00/31/222240031.db2.gz QDSAPAYGHIORFN-QFIPXVFZSA-N 1 1 397.444 5.423 40 0 GKABMO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072358162 222240156 /nfs/dbraw/zinc/24/01/56/222240156.db2.gz WYISXSMIIBZOEK-NRFANRHFSA-N 1 1 390.449 5.007 40 0 GKABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)C3CCCCC3)c2)s1 ZINC000072372510 222242718 /nfs/dbraw/zinc/24/27/18/222242718.db2.gz SDXDVGCUBUBRAS-IBGZPJMESA-N 1 1 384.549 5.142 40 0 GKABMO O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613716 534680402 /nfs/dbraw/zinc/68/04/02/534680402.db2.gz ZQAUXIMOVDQAMC-SANMLTNESA-N 1 1 396.534 5.017 40 0 GKABMO CC(C)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000409119576 528199130 /nfs/dbraw/zinc/19/91/30/528199130.db2.gz SWHKWKIZMIGSPI-UHFFFAOYSA-N 1 1 384.523 5.621 40 0 GKABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000049169961 560084610 /nfs/dbraw/zinc/08/46/10/560084610.db2.gz PJTPUQOCVBOMQL-KRWDZBQOSA-N 1 1 387.405 5.053 40 0 biogenic,in-vitro GKABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 ZINC000049168828 560084803 /nfs/dbraw/zinc/08/48/03/560084803.db2.gz WGCYRBJGVGETDC-ZDUSSCGKSA-N 1 1 380.797 5.490 40 0 biogenic,in-vitro GKABMO c1ccc(C[N@H+]2CCC3(CN(CC(c4ccccc4)c4ccccc4)C3)C2)cc1 ZINC000096202471 570219196 /nfs/dbraw/zinc/21/91/96/570219196.db2.gz PCJSKAXUELWQCS-UHFFFAOYSA-N 1 1 382.551 5.026 40 0 GKABMO c1ccc(C[N@@H+]2CCC3(CN(CC(c4ccccc4)c4ccccc4)C3)C2)cc1 ZINC000096202471 570219198 /nfs/dbraw/zinc/21/91/98/570219198.db2.gz PCJSKAXUELWQCS-UHFFFAOYSA-N 1 1 382.551 5.026 40 0 GKABMO c1ccc(CN2CCC[C@]3(CCC[N@H+]3Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000096214653 570219629 /nfs/dbraw/zinc/21/96/29/570219629.db2.gz GUOVSFRAHPIGRV-NDEPHWFRSA-N 1 1 396.578 5.984 40 0 GKABMO c1ccc(C[N@H+]2CCC[C@]3(CCCN3Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000096214653 570219630 /nfs/dbraw/zinc/21/96/30/570219630.db2.gz GUOVSFRAHPIGRV-NDEPHWFRSA-N 1 1 396.578 5.984 40 0 GKABMO c1ccc(C[N@@H+]2CCC[C@]3(CCCN3Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000096214653 570219631 /nfs/dbraw/zinc/21/96/31/570219631.db2.gz GUOVSFRAHPIGRV-NDEPHWFRSA-N 1 1 396.578 5.984 40 0 GKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)C1 ZINC000020044160 570237326 /nfs/dbraw/zinc/23/73/26/570237326.db2.gz KWGBSFRNAXEINV-OAHLLOKOSA-N 1 1 376.422 5.190 40 0 GKABMO CC(=O)OCC[N@H+](C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C)C[C@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000102146731 570287666 /nfs/dbraw/zinc/28/76/66/570287666.db2.gz BRHVDTJVVBPNCJ-PYSZQBSGSA-N 1 1 375.597 5.328 40 0 GKABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215628 570313672 /nfs/dbraw/zinc/31/36/72/570313672.db2.gz FYDGJCROILLXAT-FQEVSTJZSA-N 1 1 387.568 5.703 40 0 GKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214880 570314856 /nfs/dbraw/zinc/31/48/56/570314856.db2.gz NKOMTUGBRZDLPM-LJQANCHMSA-N 1 1 375.557 5.415 40 0 GKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214763 570315023 /nfs/dbraw/zinc/31/50/23/570315023.db2.gz BOUPMTDMXODRII-IBGZPJMESA-N 1 1 375.557 5.560 40 0 GKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072214562 570315083 /nfs/dbraw/zinc/31/50/83/570315083.db2.gz VWYLEXPWIXTBTO-IBGZPJMESA-N 1 1 375.557 5.272 40 0 GKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072214761 570315086 /nfs/dbraw/zinc/31/50/86/570315086.db2.gz AZFUTLGXSPAJTI-LJQANCHMSA-N 1 1 375.557 5.416 40 0 GKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072214561 570315111 /nfs/dbraw/zinc/31/51/11/570315111.db2.gz VWYLEXPWIXTBTO-LJQANCHMSA-N 1 1 375.557 5.272 40 0 GKABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214907 570315261 /nfs/dbraw/zinc/31/52/61/570315261.db2.gz NEXDHCYZFWSCBD-NRFANRHFSA-N 1 1 395.547 5.569 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214998 570315311 /nfs/dbraw/zinc/31/53/11/570315311.db2.gz HDWDEVSMPATFIQ-IBGZPJMESA-N 1 1 375.557 5.559 40 0 GKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214941 570315352 /nfs/dbraw/zinc/31/53/52/570315352.db2.gz ZUPFSHORESGPBN-IBGZPJMESA-N 1 1 375.557 5.415 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072215059 570315367 /nfs/dbraw/zinc/31/53/67/570315367.db2.gz KWUPSOLEGLESKP-LJQANCHMSA-N 1 1 375.557 5.559 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072215000 570315394 /nfs/dbraw/zinc/31/53/94/570315394.db2.gz BXUVKLMJSRFHRZ-FQEVSTJZSA-N 1 1 389.584 5.806 40 0 GKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214942 570315461 /nfs/dbraw/zinc/31/54/61/570315461.db2.gz JYQLYNQTGXZVRB-LJQANCHMSA-N 1 1 375.557 5.559 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214999 570315517 /nfs/dbraw/zinc/31/55/17/570315517.db2.gz HDWDEVSMPATFIQ-LJQANCHMSA-N 1 1 375.557 5.559 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CCC ZINC000072215056 570315550 /nfs/dbraw/zinc/31/55/50/570315550.db2.gz QWEAJBZPRYPXDU-IBGZPJMESA-N 1 1 375.557 5.560 40 0 GKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072214981 570315554 /nfs/dbraw/zinc/31/55/54/570315554.db2.gz JBUQWCHEUQYVJV-IBGZPJMESA-N 1 1 375.557 5.416 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072215263 570315714 /nfs/dbraw/zinc/31/57/14/570315714.db2.gz WHYSFGGFJLOLIP-MJGOQNOKSA-N 1 1 375.557 5.557 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072215236 570315725 /nfs/dbraw/zinc/31/57/25/570315725.db2.gz KMIFNHOVBNKCGD-PKOBYXMFSA-N 1 1 375.557 5.415 40 0 GKABMO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1)C1CC1 ZINC000072215311 570315747 /nfs/dbraw/zinc/31/57/47/570315747.db2.gz MDBSQJGOYQAYJC-NRFANRHFSA-N 1 1 393.531 5.323 40 0 GKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072215158 570315866 /nfs/dbraw/zinc/31/58/66/570315866.db2.gz GZNTUPIVEZVJFD-AZUAARDMSA-N 1 1 389.584 5.805 40 0 GKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072215235 570315989 /nfs/dbraw/zinc/31/59/89/570315989.db2.gz KMIFNHOVBNKCGD-IEBWSBKVSA-N 1 1 375.557 5.415 40 0 GKABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215682 570316637 /nfs/dbraw/zinc/31/66/37/570316637.db2.gz OEBHRAALRNHTKA-FQEVSTJZSA-N 1 1 387.568 5.701 40 0 GKABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215681 570316717 /nfs/dbraw/zinc/31/67/17/570316717.db2.gz OEBHRAALRNHTKA-HXUWFJFHSA-N 1 1 387.568 5.701 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000022511754 570318872 /nfs/dbraw/zinc/31/88/72/570318872.db2.gz SEDNZHLAIYFKDB-HNNXBMFYSA-N 1 1 376.422 5.190 40 0 GKABMO CC(C)c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)C(C)(C)C)[C@H]3C2)cc1 ZINC000585109747 570319595 /nfs/dbraw/zinc/31/95/95/570319595.db2.gz OBTCPIFMUFGXMG-KMDXXIMOSA-N 1 1 390.571 5.243 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)C1 ZINC000022533745 570321178 /nfs/dbraw/zinc/32/11/78/570321178.db2.gz JJCSNPRALFBCCL-AWEZNQCLSA-N 1 1 377.315 5.478 40 0 GKABMO Cc1cc(OC[C@@]2(O)CCC[N@H+](C3CCC(C)(C)CC3)C2)cc(C)c1Cl ZINC000585281787 570321493 /nfs/dbraw/zinc/32/14/93/570321493.db2.gz RNDABBCFCYXJKB-JOCHJYFZSA-N 1 1 379.972 5.131 40 0 GKABMO Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044905748 570322560 /nfs/dbraw/zinc/32/25/60/570322560.db2.gz BMEZBAFJWSWZDW-QUCCMNQESA-N 1 1 384.951 5.046 40 0 GKABMO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072359226 570339817 /nfs/dbraw/zinc/33/98/17/570339817.db2.gz HXPBQKUYAJNPMC-IBGZPJMESA-N 1 1 386.474 5.144 40 0 GKABMO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)n2)c1 ZINC000072359866 570339938 /nfs/dbraw/zinc/33/99/38/570339938.db2.gz HQKUGLUKPSXISU-OAQYLSRUSA-N 1 1 398.510 5.013 40 0 GKABMO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@@H+]2C[C@H](C)CC[C@@H]12 ZINC000118919209 570367705 /nfs/dbraw/zinc/36/77/05/570367705.db2.gz JALVTHFTYRPDMB-ARFBNMCRSA-N 1 1 399.663 5.735 40 0 in-man GKABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000057774465 570373818 /nfs/dbraw/zinc/37/38/18/570373818.db2.gz HLXLYAKKZZYYOS-CQSZACIVSA-N 1 1 393.384 5.069 40 0 GKABMO O=C(CN(c1ccccc1)C1=[NH+]CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008436373 570380168 /nfs/dbraw/zinc/38/01/68/570380168.db2.gz QRBALUNGAAZTIL-UHFFFAOYSA-N 1 1 382.507 6.015 40 0 GKABMO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004785655 570405649 /nfs/dbraw/zinc/40/56/49/570405649.db2.gz XYXSWNLJRUZOJN-YXGPKXJVSA-N 1 1 385.551 5.660 40 0 GKABMO CCc1n[nH]c(-c2ccc(OC)cc2)c1-c1ccccc1OCC[NH+](CC)CC ZINC000004877408 570414698 /nfs/dbraw/zinc/41/46/98/570414698.db2.gz DQANCZNWOVGPDU-UHFFFAOYSA-N 1 1 393.531 5.035 40 0 GKABMO O=C(NCc1ccc2ccccc2c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222813560 570427185 /nfs/dbraw/zinc/42/71/85/570427185.db2.gz PLEGMWXGZOAMCJ-QFIPXVFZSA-N 1 1 392.930 5.022 40 0 GKABMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220920 570452755 /nfs/dbraw/zinc/45/27/55/570452755.db2.gz GFVHAXJDPCZWTP-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO COc1ccc2c(c1OC)[C@H](C=C(c1ccccc1)c1ccccc1)C[N@H+](C)C2 ZINC000005722646 570453052 /nfs/dbraw/zinc/45/30/52/570453052.db2.gz BMBANZRNVKDGHZ-JOCHJYFZSA-N 1 1 385.507 5.365 40 0 GKABMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(C)C)cc1 ZINC000006858891 570497151 /nfs/dbraw/zinc/49/71/51/570497151.db2.gz VBHQJZRWDLPMJN-UHFFFAOYSA-N 1 1 386.499 5.554 40 0 GKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000030869169 570500356 /nfs/dbraw/zinc/50/03/56/570500356.db2.gz BMTXLBGDINMVST-HKOYGPOVSA-N 1 1 393.490 5.038 40 0 GKABMO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000030938395 570501555 /nfs/dbraw/zinc/50/15/55/570501555.db2.gz IBBJFUZWCZYDBD-UHFFFAOYSA-N 1 1 399.268 5.122 40 0 GKABMO COC(c1ccccc1)(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[N@H+]1C1CCCCC1 ZINC000031719411 570505784 /nfs/dbraw/zinc/50/57/84/570505784.db2.gz JBAHSWIYXPCPOY-QZIBZCQVSA-N 1 1 397.562 6.335 40 0 GKABMO COc1ccc(CC[N@@H+](C)C2c3ccccc3C=Cc3ccccc32)cc1OC ZINC000031748906 570505914 /nfs/dbraw/zinc/50/59/14/570505914.db2.gz HIYSIEZKZQATSM-UHFFFAOYSA-N 1 1 385.507 5.452 40 0 GKABMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCC2)cc1 ZINC000000904241 570515394 /nfs/dbraw/zinc/51/53/94/570515394.db2.gz IJRZXPUSPSXAFL-UHFFFAOYSA-N 1 1 386.293 5.127 40 0 GKABMO Clc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCC2)cc1 ZINC000000904216 570515466 /nfs/dbraw/zinc/51/54/66/570515466.db2.gz ZLTFRSQQNMOCSP-UHFFFAOYSA-N 1 1 390.712 5.772 40 0 GKABMO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544356 570517709 /nfs/dbraw/zinc/51/77/09/570517709.db2.gz JPSDANZZBZMIOM-UHFFFAOYSA-N 1 1 399.406 5.536 40 0 GKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1 ZINC000224964209 570539973 /nfs/dbraw/zinc/53/99/73/570539973.db2.gz WJIRYEPWCDDVSP-FQEVSTJZSA-N 1 1 391.559 5.161 40 0 GKABMO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1 ZINC000034086990 570557622 /nfs/dbraw/zinc/55/76/22/570557622.db2.gz SUPUOCXWGNFONI-IARZGTGTSA-N 1 1 396.578 5.712 40 0 GKABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1c(C)oc2ccccc21 ZINC000036740339 570568976 /nfs/dbraw/zinc/56/89/76/570568976.db2.gz ILARSCJDMMLFCC-UHFFFAOYSA-N 1 1 389.499 5.039 40 0 GKABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCCc2ccccc2)cc1 ZINC000001376136 570581363 /nfs/dbraw/zinc/58/13/63/570581363.db2.gz NPGLEHRBGLMJNR-UHFFFAOYSA-N 1 1 377.875 5.318 40 0 GKABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833229 570585067 /nfs/dbraw/zinc/58/50/67/570585067.db2.gz WDGIWCNMZPCEJL-OAHLLOKOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038833229 570585068 /nfs/dbraw/zinc/58/50/68/570585068.db2.gz WDGIWCNMZPCEJL-OAHLLOKOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833226 570585077 /nfs/dbraw/zinc/58/50/77/570585077.db2.gz WOPNMIRAXVBOJA-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833226 570585079 /nfs/dbraw/zinc/58/50/79/570585079.db2.gz WOPNMIRAXVBOJA-INIZCTEOSA-N 1 1 377.315 5.153 40 0 GKABMO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833529 570585104 /nfs/dbraw/zinc/58/51/04/570585104.db2.gz LCHGQLDLNKQMSL-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833529 570585106 /nfs/dbraw/zinc/58/51/06/570585106.db2.gz LCHGQLDLNKQMSL-KRWDZBQOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833400 570585138 /nfs/dbraw/zinc/58/51/38/570585138.db2.gz DCSKOEARIZVIOV-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038833400 570585141 /nfs/dbraw/zinc/58/51/41/570585141.db2.gz DCSKOEARIZVIOV-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038833416 570585221 /nfs/dbraw/zinc/58/52/21/570585221.db2.gz BTNUUMVVJGVGAI-UHFFFAOYSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000038833344 570585268 /nfs/dbraw/zinc/58/52/68/570585268.db2.gz GJHWMFHZTKRGFU-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000038833344 570585269 /nfs/dbraw/zinc/58/52/69/570585269.db2.gz GJHWMFHZTKRGFU-INIZCTEOSA-N 1 1 391.342 5.461 40 0 GKABMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833650 570585328 /nfs/dbraw/zinc/58/53/28/570585328.db2.gz FXILGFGDFQTEBT-MRXNPFEDSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833650 570585330 /nfs/dbraw/zinc/58/53/30/570585330.db2.gz FXILGFGDFQTEBT-MRXNPFEDSA-N 1 1 391.342 5.407 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000038833339 570585341 /nfs/dbraw/zinc/58/53/41/570585341.db2.gz OZTSPHCCWLIFMA-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000038833339 570585342 /nfs/dbraw/zinc/58/53/42/570585342.db2.gz OZTSPHCCWLIFMA-QGZVFWFLSA-N 1 1 391.342 5.461 40 0 GKABMO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833759 570585349 /nfs/dbraw/zinc/58/53/49/570585349.db2.gz BWQWHUJSPKLWMN-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833759 570585351 /nfs/dbraw/zinc/58/53/51/570585351.db2.gz BWQWHUJSPKLWMN-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833875 570585759 /nfs/dbraw/zinc/58/57/59/570585759.db2.gz WVGYXBLWBQGDQT-CYBMUJFWSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833875 570585760 /nfs/dbraw/zinc/58/57/60/570585760.db2.gz WVGYXBLWBQGDQT-CYBMUJFWSA-N 1 1 397.733 5.498 40 0 GKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000038834437 570585843 /nfs/dbraw/zinc/58/58/43/570585843.db2.gz JTNJMKMEFAVPNS-UHFFFAOYSA-N 1 1 383.451 5.284 40 0 GKABMO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038833835 570585996 /nfs/dbraw/zinc/58/59/96/570585996.db2.gz WWLWRIKBAGTZAO-UHFFFAOYSA-N 1 1 397.733 5.498 40 0 GKABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038835008 570586311 /nfs/dbraw/zinc/58/63/11/570586311.db2.gz HKAOFJHDWZMKBK-AWEZNQCLSA-N 1 1 397.733 5.498 40 0 GKABMO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038835287 570586520 /nfs/dbraw/zinc/58/65/20/570586520.db2.gz TXSTVJGOEVPPIU-INIZCTEOSA-N 1 1 391.342 5.407 40 0 GKABMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038835287 570586524 /nfs/dbraw/zinc/58/65/24/570586524.db2.gz TXSTVJGOEVPPIU-INIZCTEOSA-N 1 1 391.342 5.407 40 0 GKABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834698 570586655 /nfs/dbraw/zinc/58/66/55/570586655.db2.gz HDANTTLTAAACLK-HNNXBMFYSA-N 1 1 396.840 5.210 40 0 GKABMO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849498 570587859 /nfs/dbraw/zinc/58/78/59/570587859.db2.gz VSTFJVAVHLSXFE-MRXNPFEDSA-N 1 1 377.315 5.153 40 0 GKABMO CCc1cccc(CC)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038856184 570588210 /nfs/dbraw/zinc/58/82/10/570588210.db2.gz BMUWTNNAFSQBKE-FQEVSTJZSA-N 1 1 384.951 5.316 40 0 GKABMO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038853592 570588620 /nfs/dbraw/zinc/58/86/20/570588620.db2.gz PHBKGTLOQZOCLG-UHFFFAOYSA-N 1 1 399.268 5.122 40 0 GKABMO Cc1ccc([C@H](c2nnnn2C2CCCC2)[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000004230454 570624512 /nfs/dbraw/zinc/62/45/12/570624512.db2.gz LULZFZUODDFSJR-JOCHJYFZSA-N 1 1 393.579 5.232 40 0 GKABMO Cc1ccc([C@H](c2nnnn2C2CCCC2)[N@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000004230454 570624515 /nfs/dbraw/zinc/62/45/15/570624515.db2.gz LULZFZUODDFSJR-JOCHJYFZSA-N 1 1 393.579 5.232 40 0 GKABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2oc3ccccc3c2C)s1 ZINC000043277898 570627032 /nfs/dbraw/zinc/62/70/32/570627032.db2.gz XXVVATLKPHLQGW-UHFFFAOYSA-N 1 1 379.529 5.400 40 0 GKABMO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903961 570632160 /nfs/dbraw/zinc/63/21/60/570632160.db2.gz AJHVVNNCJMTXJI-NRFANRHFSA-N 1 1 392.930 5.022 40 0 GKABMO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000004857225 570638383 /nfs/dbraw/zinc/63/83/83/570638383.db2.gz RCFJPAORUQWPHZ-NOTZXAQLSA-N 1 1 393.600 5.176 40 0 GKABMO Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044905744 570641567 /nfs/dbraw/zinc/64/15/67/570641567.db2.gz BMEZBAFJWSWZDW-UYAOXDASSA-N 1 1 384.951 5.046 40 0 GKABMO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044905909 570641890 /nfs/dbraw/zinc/64/18/90/570641890.db2.gz JDVSDBPVURATJN-OAQYLSRUSA-N 1 1 398.550 5.353 40 0 GKABMO O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004882304 570642059 /nfs/dbraw/zinc/64/20/59/570642059.db2.gz HDAGRSCLQYLNGG-SEJPIABJSA-N 1 1 383.923 5.047 40 0 GKABMO CSc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004882315 570642266 /nfs/dbraw/zinc/64/22/66/570642266.db2.gz KOCOICPVMWLBAR-SEJPIABJSA-N 1 1 395.572 5.116 40 0 GKABMO Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004883270 570642620 /nfs/dbraw/zinc/64/26/20/570642620.db2.gz PYCMQGUIBKCKGU-YQQQUEKLSA-N 1 1 383.561 5.072 40 0 GKABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004887822 570642715 /nfs/dbraw/zinc/64/27/15/570642715.db2.gz VDSPMELYTJWFDF-DKOTUWDOSA-N 1 1 384.608 5.037 40 0 GKABMO CC(C)[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005002471 570652270 /nfs/dbraw/zinc/65/22/70/570652270.db2.gz XANBEVHQLOSTKB-FWEHEUNISA-N 1 1 385.551 5.965 40 0 GKABMO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4ccccc43)[C@@H](c3ccccc3)C2)cc1 ZINC000013563450 570656758 /nfs/dbraw/zinc/65/67/58/570656758.db2.gz SUPUOCXWGNFONI-FCEKVYKBSA-N 1 1 396.578 5.712 40 0 GKABMO CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)cc1 ZINC000008578442 570681069 /nfs/dbraw/zinc/68/10/69/570681069.db2.gz YULJENCEDMKCBO-IHWFROFDSA-N 1 1 399.629 5.183 40 0 GKABMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000013468135 570755330 /nfs/dbraw/zinc/75/53/30/570755330.db2.gz FTGMSKYZJVDEFA-FJWAKPKTSA-N 1 1 389.514 5.714 40 0 GKABMO Clc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000013564358 570850095 /nfs/dbraw/zinc/85/00/95/570850095.db2.gz LAOLCJGKLQTEKP-RPBOFIJWSA-N 1 1 390.958 5.488 40 0 GKABMO Clc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000013564358 570850098 /nfs/dbraw/zinc/85/00/98/570850098.db2.gz LAOLCJGKLQTEKP-RPBOFIJWSA-N 1 1 390.958 5.488 40 0 GKABMO Clc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000013564358 570850102 /nfs/dbraw/zinc/85/01/02/570850102.db2.gz LAOLCJGKLQTEKP-RPBOFIJWSA-N 1 1 390.958 5.488 40 0 GKABMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)CCCC ZINC000013562816 570851713 /nfs/dbraw/zinc/85/17/13/570851713.db2.gz WEOCXFUEIUWOBH-XDZXDJIYSA-N 1 1 393.615 6.922 40 0 GKABMO c1ccc(Nc2ccc([C@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)nc2)nc1 ZINC000072353350 570881381 /nfs/dbraw/zinc/88/13/81/570881381.db2.gz FZNSSVWLCYODPA-FQEVSTJZSA-N 1 1 395.510 5.148 40 0 GKABMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C ZINC000044856304 570914585 /nfs/dbraw/zinc/91/45/85/570914585.db2.gz HXMIHKHDUSTAHV-RXVVDRJESA-N 1 1 384.951 5.046 40 0 GKABMO CCc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000036614397 570943011 /nfs/dbraw/zinc/94/30/11/570943011.db2.gz INNVAFCCUUWNAL-NHTMILBNSA-N 1 1 399.962 5.476 40 0 GKABMO Cc1ccc(C[N@H+](Cc2cccn2-c2ncccc2C)Cc2ccncc2)cc1 ZINC000019210166 570959961 /nfs/dbraw/zinc/95/99/61/570959961.db2.gz KORAYKGHPAWWSI-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO Cc1ccc(C[N@@H+](Cc2cccn2-c2ncccc2C)Cc2ccncc2)cc1 ZINC000019210166 570959964 /nfs/dbraw/zinc/95/99/64/570959964.db2.gz KORAYKGHPAWWSI-UHFFFAOYSA-N 1 1 382.511 5.087 40 0 GKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)on1 ZINC000019210192 570960360 /nfs/dbraw/zinc/96/03/60/570960360.db2.gz QPJXXRMJWUAQEK-LADGPHEKSA-N 1 1 375.516 5.100 40 0 GKABMO COc1ccc2[nH]c(C[NH2+][C@H](Cc3ccsc3)c3nccs3)c(C)c2c1 ZINC000019565552 571007463 /nfs/dbraw/zinc/00/74/63/571007463.db2.gz ZHWLHUKQAMQHRV-GOSISDBHSA-N 1 1 383.542 5.077 40 0 GKABMO Cc1c(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)cnn1C ZINC000019690883 571029141 /nfs/dbraw/zinc/02/91/41/571029141.db2.gz OVPWPNODHQUBCO-HSZRJFAPSA-N 1 1 394.950 5.013 40 0 GKABMO COc1cccc(Cc2cc(C)nc([C@H]3CCC[N@H+]3Cc3cnc(C)s3)c2)c1 ZINC000019691978 571029684 /nfs/dbraw/zinc/02/96/84/571029684.db2.gz YDADNWSUEWFBOI-HSZRJFAPSA-N 1 1 393.556 5.091 40 0 GKABMO CCOc1ccc([C@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000019532661 210260203 /nfs/dbraw/zinc/26/02/03/210260203.db2.gz GGTKCUJOSDLTRD-KKSFZXQISA-N 1 1 379.504 5.006 40 0 GKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(F)c(F)c2)on1 ZINC000019120478 210225535 /nfs/dbraw/zinc/22/55/35/210225535.db2.gz ZXCQZMRSBGTMNZ-WMZHIEFXSA-N 1 1 397.469 5.070 40 0 GKABMO