smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1coc(CN2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)c1 ZINC000096046479 185071665 /nfs/dbraw/zinc/07/16/65/185071665.db2.gz KZOQRYXDFZFDQN-UHFFFAOYSA-N 1 1 288.416 3.049 40 0 CGABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 ZINC000096058415 185079165 /nfs/dbraw/zinc/07/91/65/185079165.db2.gz IHFWJQMJMIROBC-OALUTQOASA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@H]12 ZINC000096058415 185079167 /nfs/dbraw/zinc/07/91/67/185079167.db2.gz IHFWJQMJMIROBC-OALUTQOASA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@H]12 ZINC000096058415 185079169 /nfs/dbraw/zinc/07/91/69/185079169.db2.gz IHFWJQMJMIROBC-OALUTQOASA-N 1 1 296.414 3.127 40 0 CGABMO C[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000096073307 185087899 /nfs/dbraw/zinc/08/78/99/185087899.db2.gz KTYKHZUYFLNWKG-DOTOQJQBSA-N 1 1 259.393 3.120 40 0 CGABMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038859250 344956736 /nfs/dbraw/zinc/95/67/36/344956736.db2.gz XTPOZRGMFGQZBX-WBVHZDCISA-N 1 1 288.435 3.203 40 0 CGABMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038859252 344956898 /nfs/dbraw/zinc/95/68/98/344956898.db2.gz XTPOZRGMFGQZBX-RDJZCZTQSA-N 1 1 288.435 3.203 40 0 CGABMO CC(C)N1C[C@@]2(CCC[N@H+]([C@@H](C)c3ccccc3)C2)C1=O ZINC000585099443 346724383 /nfs/dbraw/zinc/72/43/83/346724383.db2.gz JNQCJPAYAYGKAR-YJBOKZPZSA-N 1 1 286.419 3.080 40 0 CGABMO O=C(/C=C/c1ccco1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000000307490 368338511 /nfs/dbraw/zinc/33/85/11/368338511.db2.gz NXLHVPKRTYHUOA-IVFUDNFBSA-N 1 1 289.375 3.101 40 0 CGABMO [NH3+]Cc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000003609073 368515307 /nfs/dbraw/zinc/51/53/07/368515307.db2.gz HXBYJNCNTRDVGJ-UHFFFAOYSA-N 1 1 250.301 3.467 40 0 CGABMO COCCC[N@@H+](Cc1ccc(C)s1)Cc1ccccn1 ZINC000013990883 368672917 /nfs/dbraw/zinc/67/29/17/368672917.db2.gz FYADLFJBZKADSQ-UHFFFAOYSA-N 1 1 290.432 3.490 40 0 CGABMO COCc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000066044661 369686908 /nfs/dbraw/zinc/68/69/08/369686908.db2.gz SAAYLBIIKWPWPX-KRWDZBQOSA-N 1 1 298.386 3.074 40 0 CGABMO Nc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212387 369815684 /nfs/dbraw/zinc/81/56/84/369815684.db2.gz CVOIMRCRDZMQJN-INIZCTEOSA-N 1 1 267.376 3.391 40 0 CGABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212678 369815839 /nfs/dbraw/zinc/81/58/39/369815839.db2.gz QBNYAUNNSDGZPE-OAHLLOKOSA-N 1 1 261.413 3.331 40 0 CGABMO Cc1cc(CC2CC[NH+](Cc3cscn3)CC2)ccn1 ZINC000257201855 190010763 /nfs/dbraw/zinc/01/07/63/190010763.db2.gz AJHYEQDZZYKXRX-UHFFFAOYSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1cccc(C[C@H]2CCC[N@H+](Cc3nccs3)C2)n1 ZINC000257209834 190012291 /nfs/dbraw/zinc/01/22/91/190012291.db2.gz BSBRRHUJDNNFJE-CQSZACIVSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1cccc(C[C@H]2CCC[N@@H+](Cc3nccs3)C2)n1 ZINC000257209834 190012292 /nfs/dbraw/zinc/01/22/92/190012292.db2.gz BSBRRHUJDNNFJE-CQSZACIVSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1N ZINC000242463365 376781130 /nfs/dbraw/zinc/78/11/30/376781130.db2.gz CZDFEEUDCHNUSS-NBOOPKSLSA-N 1 1 288.435 3.154 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000242463365 376781139 /nfs/dbraw/zinc/78/11/39/376781139.db2.gz CZDFEEUDCHNUSS-NBOOPKSLSA-N 1 1 288.435 3.154 40 0 CGABMO CCCNc1cc(C)c([C@H](O)c2ccccc2)c[nH+]1 ZINC000072223211 392203161 /nfs/dbraw/zinc/20/31/61/392203161.db2.gz FFLNIXFFQJYARZ-MRXNPFEDSA-N 1 1 256.349 3.294 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H]1c1cccc(-c2ccnn2C)n1 ZINC000257297094 393135852 /nfs/dbraw/zinc/13/58/52/393135852.db2.gz RFUYHGZADHZDKU-MRXNPFEDSA-N 1 1 270.380 3.027 40 0 CGABMO O[C@H]1CCC[C@@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000004777584 170015684 /nfs/dbraw/zinc/01/56/84/170015684.db2.gz QBOSUFUCBZTWSO-BMIGLBTASA-N 1 1 276.767 3.461 40 0 CGABMO CCCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000006324981 170191361 /nfs/dbraw/zinc/19/13/61/170191361.db2.gz PQAWTKDGLUPFGC-DOTOQJQBSA-N 1 1 291.435 3.253 40 0 CGABMO CC[C@@H](OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000006356112 170195104 /nfs/dbraw/zinc/19/51/04/170195104.db2.gz KZUCROJGSXJBCA-RYQLBKOJSA-N 1 1 291.435 3.390 40 0 CGABMO C[NH2+]CCCNCc1ccc(-c2ccccc2)cc1 ZINC000008377118 170333609 /nfs/dbraw/zinc/33/36/09/170333609.db2.gz BYSSNYZHRSDQOZ-UHFFFAOYSA-N 1 1 254.377 3.053 40 0 CGABMO COc1cc(C=O)ccc1OCCC[N@H+]1CCC[C@@H](C)C1 ZINC000008731573 170351097 /nfs/dbraw/zinc/35/10/97/170351097.db2.gz MVAMVOKYOOMUMS-CQSZACIVSA-N 1 1 291.391 3.009 40 0 CGABMO CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1n[nH]cc1C ZINC000072366784 176381750 /nfs/dbraw/zinc/38/17/50/176381750.db2.gz NVUBOZCBORIQIZ-OAHLLOKOSA-N 1 1 285.391 3.454 40 0 CGABMO CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1n[nH]cc1C ZINC000072366784 176381751 /nfs/dbraw/zinc/38/17/51/176381751.db2.gz NVUBOZCBORIQIZ-OAHLLOKOSA-N 1 1 285.391 3.454 40 0 CGABMO Cc1cccc(C[C@@H]2COCC[N@H+](C3CCCCC3)C2)n1 ZINC000072381036 176387514 /nfs/dbraw/zinc/38/75/14/176387514.db2.gz PNKDCXKUGQPZRP-INIZCTEOSA-N 1 1 288.435 3.214 40 0 CGABMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C)C2)c1 ZINC000072385061 176389376 /nfs/dbraw/zinc/38/93/76/176389376.db2.gz KPPRRBMPRNNKNT-HNNXBMFYSA-N 1 1 285.391 3.106 40 0 CGABMO Cc1cccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000013670132 260074945 /nfs/dbraw/zinc/07/49/45/260074945.db2.gz AYNPIRAMZOQULF-IYBDPMFKSA-N 1 1 288.435 3.093 40 0 CGABMO FC1(F)CC12C[C@H]1CC[C@@H](C2)N1c1[nH+]cnc2[nH]ccc21 ZINC000528103639 270154692 /nfs/dbraw/zinc/15/46/92/270154692.db2.gz UFOWHOWCPMRPBT-XFLKPENQSA-N 1 1 290.317 3.115 40 0 CGABMO COc1ccc2ccccc2c1[C@@H](CN)[NH+]1CCCCC1 ZINC000032055278 274141719 /nfs/dbraw/zinc/14/17/19/274141719.db2.gz KXFYSDUDMGNQDA-MRXNPFEDSA-N 1 1 284.403 3.334 40 0 CGABMO C([C@H]1C[C@H]1C1CCCCC1)[N@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000242554662 275398077 /nfs/dbraw/zinc/39/80/77/275398077.db2.gz MSFDEISPJHZVBL-VSZNYVQBSA-N 1 1 276.468 3.419 40 0 CGABMO C([C@H]1C[C@H]1C1CCCCC1)N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000242554662 275398078 /nfs/dbraw/zinc/39/80/78/275398078.db2.gz MSFDEISPJHZVBL-VSZNYVQBSA-N 1 1 276.468 3.419 40 0 CGABMO CC1CC[NH+]([C@@H](CN)c2ccc(C(F)(F)F)cc2)CC1 ZINC000095532277 185005319 /nfs/dbraw/zinc/00/53/19/185005319.db2.gz ZGXAPCFMMRTKNV-AWEZNQCLSA-N 1 1 286.341 3.437 40 0 CGABMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)o2)[C@H]1Cc1ccccc1 ZINC000096061573 185082771 /nfs/dbraw/zinc/08/27/71/185082771.db2.gz LSODTWBEWXASTD-ZWKOTPCHSA-N 1 1 285.387 3.420 40 0 CGABMO CCCCCN1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000096070803 185086331 /nfs/dbraw/zinc/08/63/31/185086331.db2.gz GZCCXOXXBGTCCG-UHFFFAOYSA-N 1 1 272.436 3.385 40 0 CGABMO CCCCC[NH+]1CC2(C1)CCN(Cc1ccccc1)C2 ZINC000096070803 185086333 /nfs/dbraw/zinc/08/63/33/185086333.db2.gz GZCCXOXXBGTCCG-UHFFFAOYSA-N 1 1 272.436 3.385 40 0 CGABMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)c[nH]c1=O ZINC000072217983 345406328 /nfs/dbraw/zinc/40/63/28/345406328.db2.gz XWCWQQWEYDGEQO-KRWDZBQOSA-N 1 1 282.387 3.411 40 0 CGABMO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218868468 376191407 /nfs/dbraw/zinc/19/14/07/376191407.db2.gz LXSMCOZCQWTNBZ-VQHPVUNQSA-N 1 1 280.456 3.116 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000121216435 370840453 /nfs/dbraw/zinc/84/04/53/370840453.db2.gz UNBJNQKWPVODGO-INIZCTEOSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000121216435 370840461 /nfs/dbraw/zinc/84/04/61/370840461.db2.gz UNBJNQKWPVODGO-INIZCTEOSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000121216435 370840467 /nfs/dbraw/zinc/84/04/67/370840467.db2.gz UNBJNQKWPVODGO-INIZCTEOSA-N 1 1 292.386 3.338 40 0 CGABMO Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000006054465 368566100 /nfs/dbraw/zinc/56/61/00/368566100.db2.gz BDARSKFJUUGBFY-JKIFEVAISA-N 1 1 291.435 3.021 40 0 CGABMO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1 ZINC000012481460 368614543 /nfs/dbraw/zinc/61/45/43/368614543.db2.gz STPOZDWBYSLABS-AYHJJNSGSA-N 1 1 286.419 3.017 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1F ZINC000013669374 368660612 /nfs/dbraw/zinc/66/06/12/368660612.db2.gz GCWLIBPRTBKJET-AWEZNQCLSA-N 1 1 292.398 3.210 40 0 CGABMO CCc1ccc(C[N@@H+](CCO)Cc2cccs2)cc1 ZINC000013997401 368673236 /nfs/dbraw/zinc/67/32/36/368673236.db2.gz BAZGXOHUWCLPQG-UHFFFAOYSA-N 1 1 275.417 3.305 40 0 CGABMO Cc1nc2c(c(=O)[nH]1)CC[N@H+](CC[C@@H](C)c1ccccc1)C2 ZINC000019576577 368756604 /nfs/dbraw/zinc/75/66/04/368756604.db2.gz GILNIYWRTKIJMT-CYBMUJFWSA-N 1 1 297.402 3.043 40 0 CGABMO COc1cccc(OC)c1[C@H]1CCC[N@H+]1CC(C)C ZINC000072221423 369816877 /nfs/dbraw/zinc/81/68/77/369816877.db2.gz REGAZJSOJUWIKR-CYBMUJFWSA-N 1 1 263.381 3.497 40 0 CGABMO OC1([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000072482170 369822699 /nfs/dbraw/zinc/82/26/99/369822699.db2.gz VSLONXXYUKRSPQ-UHFFFAOYSA-N 1 1 253.345 3.171 40 0 CGABMO c1ccc(C[N@@H+]2CCc3[nH]c4cnccc4c3C2)cc1 ZINC000091244416 370073818 /nfs/dbraw/zinc/07/38/18/370073818.db2.gz PYNCITIHZXPVGR-UHFFFAOYSA-N 1 1 263.344 3.121 40 0 CGABMO c1ccc(C[N@H+]2CCc3[nH]c4cnccc4c3C2)cc1 ZINC000091244416 370073821 /nfs/dbraw/zinc/07/38/21/370073821.db2.gz PYNCITIHZXPVGR-UHFFFAOYSA-N 1 1 263.344 3.121 40 0 CGABMO Nc1c(-c2cccc(Br)c2)[nH+]cn1C1CC1 ZINC000100761265 370282270 /nfs/dbraw/zinc/28/22/70/370282270.db2.gz KXBYNVKCBWCCBQ-UHFFFAOYSA-N 1 1 278.153 3.230 40 0 CGABMO Fc1cccc(C[NH+]2CCC(c3cnccn3)CC2)c1F ZINC000257207801 190012597 /nfs/dbraw/zinc/01/25/97/190012597.db2.gz BJIBCNIKDFWHET-UHFFFAOYSA-N 1 1 289.329 3.134 40 0 CGABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000257212018 190013169 /nfs/dbraw/zinc/01/31/69/190013169.db2.gz CBOSETXNGDZEHB-LBPRGKRZSA-N 1 1 298.365 3.328 40 0 CGABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000257235323 190016987 /nfs/dbraw/zinc/01/69/87/190016987.db2.gz GXILLYYBMYGPHW-OAHLLOKOSA-N 1 1 285.366 3.304 40 0 CGABMO Cc1n[nH]c(C)c1-c1cnc([C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257254363 190020479 /nfs/dbraw/zinc/02/04/79/190020479.db2.gz KCSVUJHOHFEKPT-AWEZNQCLSA-N 1 1 299.422 3.071 40 0 CGABMO Cc1cn(C)c([C@H]2CC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000257245998 190019348 /nfs/dbraw/zinc/01/93/48/190019348.db2.gz ISAFHLLNQZGDKX-KRWDZBQOSA-N 1 1 283.419 3.151 40 0 CGABMO Cc1cc(CC[C@@H]2CCC[N@H+]2CC2CCOCC2)ccn1 ZINC000257311690 190032084 /nfs/dbraw/zinc/03/20/84/190032084.db2.gz UKQAARSVVGOQES-SFHVURJKSA-N 1 1 288.435 3.214 40 0 CGABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 ZINC000248114296 377266713 /nfs/dbraw/zinc/26/67/13/377266713.db2.gz IHFWJQMJMIROBC-RTBURBONSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@@H]12 ZINC000248114296 377266724 /nfs/dbraw/zinc/26/67/24/377266724.db2.gz IHFWJQMJMIROBC-RTBURBONSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@@H]12 ZINC000248114296 377266734 /nfs/dbraw/zinc/26/67/34/377266734.db2.gz IHFWJQMJMIROBC-RTBURBONSA-N 1 1 296.414 3.127 40 0 CGABMO CC[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218912 285289378 /nfs/dbraw/zinc/28/93/78/285289378.db2.gz LPYWEABHKCGWAF-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc(=O)[nH]cc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218129 392200224 /nfs/dbraw/zinc/20/02/24/392200224.db2.gz XOYJSMCJFFKWGK-INIZCTEOSA-N 1 1 268.360 3.433 40 0 CGABMO Cc1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ccn1 ZINC000072366677 176381843 /nfs/dbraw/zinc/38/18/43/176381843.db2.gz DBCLRWNDPIYCNJ-QGZVFWFLSA-N 1 1 267.376 3.165 40 0 CGABMO CCn1c2ccccc2nc1C[N@H+]1CCCC[C@@H]1C ZINC000076555441 177037904 /nfs/dbraw/zinc/03/79/04/177037904.db2.gz PCZUWHQOFIAKPF-ZDUSSCGKSA-N 1 1 257.381 3.431 40 0 CGABMO COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000002033971 274140703 /nfs/dbraw/zinc/14/07/03/274140703.db2.gz DZUOQMBJJSBONO-CQSZACIVSA-N 1 1 281.355 3.153 40 0 in-vitro CGABMO CO[C@H]1CCCC[C@H]1OC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000005748902 277336650 /nfs/dbraw/zinc/33/66/50/277336650.db2.gz OZYVLMYWJFRCQM-JKSUJKDBSA-N 1 1 297.439 3.142 40 0 CGABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000072227875 281432446 /nfs/dbraw/zinc/43/24/46/281432446.db2.gz LBXPFPBJTQKSRS-ROUUACIJSA-N 1 1 294.398 3.281 40 0 CGABMO Cc1occc1-c1n[nH]c([C@@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095533963 185007673 /nfs/dbraw/zinc/00/76/73/185007673.db2.gz JVZBDECGBSMCHS-LBPRGKRZSA-N 1 1 288.738 3.075 40 0 CGABMO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](C)O[C@@H]3C2)s1 ZINC000096062531 185082589 /nfs/dbraw/zinc/08/25/89/185082589.db2.gz KRBKQKZSBNPXDQ-VHRBIJSZSA-N 1 1 251.395 3.056 40 0 CGABMO Cc1c[nH]c(C[NH2+]Cc2ccccc2CC(C)C)n1 ZINC000623587499 349841746 /nfs/dbraw/zinc/84/17/46/349841746.db2.gz UMHUMBOZMNBECA-UHFFFAOYSA-N 1 1 257.381 3.206 40 0 CGABMO CC1(C)C[C@@](C)(OC(=O)c2ccc(Cl)cc2)N[N+]1=O ZINC000001558502 368417834 /nfs/dbraw/zinc/41/78/34/368417834.db2.gz GHISXUHKNNDUAY-CYBMUJFWSA-N 1 1 282.727 3.358 40 0 CGABMO C[NH+](C)Cc1c(Cl)cccc1[C@@H](O)c1ccccc1 ZINC000001662362 368427667 /nfs/dbraw/zinc/42/76/67/368427667.db2.gz UNALKMYCJOCLLH-INIZCTEOSA-N 1 1 275.779 3.483 40 0 CGABMO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2CC1CC1 ZINC000003830613 368519926 /nfs/dbraw/zinc/51/99/26/368519926.db2.gz YQYVFVRQLZMJKJ-JBBXEZCESA-N 1 1 271.404 3.326 40 0 in-man CGABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccnc2)no1 ZINC000019119456 368743901 /nfs/dbraw/zinc/74/39/01/368743901.db2.gz PMHXZNOVPUIBDC-INIZCTEOSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cccnc2)no1 ZINC000019119456 368743903 /nfs/dbraw/zinc/74/39/03/368743903.db2.gz PMHXZNOVPUIBDC-INIZCTEOSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)s1 ZINC000019217167 368745639 /nfs/dbraw/zinc/74/56/39/368745639.db2.gz FMTAPJCKNWGLGS-BLLLJJGKSA-N 1 1 285.416 3.417 40 0 CGABMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000024718101 368834247 /nfs/dbraw/zinc/83/42/47/368834247.db2.gz KLNGFIBGXXNTLD-PBHICJAKSA-N 1 1 255.361 3.241 40 0 CGABMO CC(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000031923447 368920624 /nfs/dbraw/zinc/92/06/24/368920624.db2.gz OCTPCWSLWLDMBO-UHFFFAOYSA-N 1 1 281.355 3.170 40 0 CGABMO Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N)[nH+]1 ZINC000049467288 369402616 /nfs/dbraw/zinc/40/26/16/369402616.db2.gz PZEWTJMVEKECIX-UHFFFAOYSA-N 1 1 268.242 3.130 40 0 CGABMO Cc1nc(N)cc(Nc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000049467288 369402619 /nfs/dbraw/zinc/40/26/19/369402619.db2.gz PZEWTJMVEKECIX-UHFFFAOYSA-N 1 1 268.242 3.130 40 0 CGABMO CCC[C@H](C(=O)c1cccc2c1OCO2)[NH+]1CCCCC1 ZINC000071789381 369811617 /nfs/dbraw/zinc/81/16/17/369811617.db2.gz LWRKXAAHFMCHTJ-CQSZACIVSA-N 1 1 289.375 3.253 40 0 in-vitro CGABMO Cc1cc(=S)[nH]cc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218323 369816285 /nfs/dbraw/zinc/81/62/85/369816285.db2.gz DHLWOVZWOWNGMB-ZDUSSCGKSA-N 1 1 250.411 3.472 40 0 CGABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1Cl ZINC000072324445 369816956 /nfs/dbraw/zinc/81/69/56/369816956.db2.gz NRHQMUAHRORING-GXTWGEPZSA-N 1 1 264.800 3.009 40 0 CGABMO CCCc1[nH+]ccn1-c1cc(N)cc(C(F)(F)F)c1 ZINC000116937185 370575108 /nfs/dbraw/zinc/57/51/08/370575108.db2.gz KXMJQGLMGJGSKG-UHFFFAOYSA-N 1 1 269.270 3.426 40 0 CGABMO CCN(C)c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072212796 284371791 /nfs/dbraw/zinc/37/17/91/284371791.db2.gz GTNUDNWEMKHOOK-HNNXBMFYSA-N 1 1 261.413 3.473 40 0 CGABMO CC(C)n1nccc1-c1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000257295945 190028589 /nfs/dbraw/zinc/02/85/89/190028589.db2.gz RANYDLIQHBOCMF-OAHLLOKOSA-N 1 1 270.380 3.293 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000257304594 190030515 /nfs/dbraw/zinc/03/05/15/190030515.db2.gz SMIRFTJJGVNBOS-MRXNPFEDSA-N 1 1 292.386 3.256 40 0 CGABMO CC[C@@H](O)c1ccc(N(C)Cc2ccccc2)[nH+]c1C ZINC000072224440 392204695 /nfs/dbraw/zinc/20/46/95/392204695.db2.gz PATHYZKWHWODMO-MRXNPFEDSA-N 1 1 270.376 3.470 40 0 CGABMO C[N@@H+]1C=CC=C/C1=C/C=C1\C=NN=C1c1cccs1 ZINC000334139391 392706587 /nfs/dbraw/zinc/70/65/87/392706587.db2.gz QUNMCLWTMVSHGC-GUFPOKFQSA-N 1 1 267.357 3.362 40 0 CGABMO C[N@H+]1C=CC=C/C1=C/C=C1\C=NN=C1c1cccs1 ZINC000334139391 392706595 /nfs/dbraw/zinc/70/65/95/392706595.db2.gz QUNMCLWTMVSHGC-GUFPOKFQSA-N 1 1 267.357 3.362 40 0 CGABMO CCC(=O)Nc1cc([N@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216865465 392992746 /nfs/dbraw/zinc/99/27/46/392992746.db2.gz AYPIJOQNRJSDTE-TXEJJXNPSA-N 1 1 289.423 3.408 40 0 CGABMO CCC(=O)Nc1cc([N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216865465 392992753 /nfs/dbraw/zinc/99/27/53/392992753.db2.gz AYPIJOQNRJSDTE-TXEJJXNPSA-N 1 1 289.423 3.408 40 0 CGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccs2)cc1 ZINC000020486060 171225609 /nfs/dbraw/zinc/22/56/09/171225609.db2.gz JSBPRLYZAXNUGO-UHFFFAOYSA-N 1 1 297.383 3.172 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)n[nH]1 ZINC000072386296 176391545 /nfs/dbraw/zinc/39/15/45/176391545.db2.gz FFHPODIKTINKRU-HNNXBMFYSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)[nH]n1 ZINC000072386296 176391546 /nfs/dbraw/zinc/39/15/46/176391546.db2.gz FFHPODIKTINKRU-HNNXBMFYSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)[nH]n1 ZINC000072386296 176391548 /nfs/dbraw/zinc/39/15/48/176391548.db2.gz FFHPODIKTINKRU-HNNXBMFYSA-N 1 1 280.375 3.271 40 0 CGABMO C[C@H]1[C@@H]2CC[N@@H+](CC3CC3)[C@H]1Cc1ccc(O)cc12 ZINC000095887560 260558065 /nfs/dbraw/zinc/55/80/65/260558065.db2.gz XWFDYGTVEQDYDK-KCTSRDHCSA-N 1 1 257.377 3.152 40 0 CGABMO CCCCO[C@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000002031764 278716479 /nfs/dbraw/zinc/71/64/79/278716479.db2.gz MAVDZFWGEPDETD-MRVPVSSYSA-N 1 1 262.608 3.104 40 0 CGABMO Cc1ccc([C@H](C)CCN2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000247944774 334291971 /nfs/dbraw/zinc/29/19/71/334291971.db2.gz WBHMAMYMGDAOEJ-IIAWOOMASA-N 1 1 276.424 3.250 40 0 CGABMO C[C@H]1CO[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000096073308 185088609 /nfs/dbraw/zinc/08/86/09/185088609.db2.gz KTYKHZUYFLNWKG-WBVHZDCISA-N 1 1 259.393 3.120 40 0 CGABMO C1CCC(O[C@H]2CCCC[C@H]2[N@H+]2CCN[C@@H]3CCC[C@@H]32)C1 ZINC000225718151 346305177 /nfs/dbraw/zinc/30/51/77/346305177.db2.gz RUBZSLWQDHSQAX-XDNAFOTISA-N 1 1 292.467 3.083 40 0 CGABMO C1CCC(O[C@H]2CCCC[C@H]2N2CC[NH2+][C@@H]3CCC[C@@H]32)C1 ZINC000225718151 346305181 /nfs/dbraw/zinc/30/51/81/346305181.db2.gz RUBZSLWQDHSQAX-XDNAFOTISA-N 1 1 292.467 3.083 40 0 CGABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C)CC ZINC000072212794 283321412 /nfs/dbraw/zinc/32/14/12/283321412.db2.gz VQSIJSOKQLBJHM-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO O[C@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC000001615828 368423402 /nfs/dbraw/zinc/42/34/02/368423402.db2.gz OCUJINLGKRDHSJ-YQQAZPJKSA-N 1 1 259.393 3.232 40 0 CGABMO CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000019365682 368749883 /nfs/dbraw/zinc/74/98/83/368749883.db2.gz VRPZLDIUBCEYBA-UHFFFAOYSA-N 1 1 268.404 3.250 40 0 CGABMO C[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000024718095 368834183 /nfs/dbraw/zinc/83/41/83/368834183.db2.gz KLNGFIBGXXNTLD-RHSMWYFYSA-N 1 1 255.361 3.241 40 0 CGABMO Cc1nccn1-c1cncc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072378706 369816978 /nfs/dbraw/zinc/81/69/78/369816978.db2.gz KAXRFDOJEKOYQR-MRXNPFEDSA-N 1 1 297.406 3.050 40 0 CGABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000082337376 370002452 /nfs/dbraw/zinc/00/24/52/370002452.db2.gz RRCYGZRZBYQPDA-VIFPVBQESA-N 1 1 287.190 3.274 40 0 CGABMO Cc1cc(-c2noc([C@@H](C)[NH3+])n2)cc(C)c1OCC(C)C ZINC000095095356 370175354 /nfs/dbraw/zinc/17/53/54/370175354.db2.gz ZYDJRJZKQQLGDH-GFCCVEGCSA-N 1 1 289.379 3.408 40 0 CGABMO CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215827 370209506 /nfs/dbraw/zinc/20/95/06/370209506.db2.gz YEAAFHQYCUNACY-ZBFHGGJFSA-N 1 1 293.480 3.230 40 0 CGABMO COc1ccc2c3c1OC1=C[C@@H](C)C=C4[C@@H](C2)[N@@H+](C)CC[C@@]134 ZINC000096316437 370210878 /nfs/dbraw/zinc/21/08/78/370210878.db2.gz LUBWAENLSVGGLJ-GEDNVKPRSA-N 1 1 295.382 3.046 40 0 biogenic,in-vitro CGABMO c1ccc2c(c1)C=C(C[N@H+]1CCC[C@H]1c1cnccn1)CO2 ZINC000257209024 190012365 /nfs/dbraw/zinc/01/23/65/190012365.db2.gz BOQRGSWHQKWTKQ-KRWDZBQOSA-N 1 1 293.370 3.090 40 0 CGABMO Cc1cc(CC[C@H]2CCC[N@H+]2Cc2ccncc2)ccn1 ZINC000257265140 190022944 /nfs/dbraw/zinc/02/29/44/190022944.db2.gz LXLSJXBAZDDBFJ-GOSISDBHSA-N 1 1 281.403 3.382 40 0 CGABMO Cc1cc(-c2cc(C)nc([C@@H]3CCC[N@H+](C(C)C)C3)n2)n[nH]1 ZINC000257268698 190024221 /nfs/dbraw/zinc/02/42/21/190024221.db2.gz MMUZNEISMROCLO-CQSZACIVSA-N 1 1 299.422 3.071 40 0 CGABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2ccsc2)nc(C)n1 ZINC000257283990 190026008 /nfs/dbraw/zinc/02/60/08/190026008.db2.gz PAUIMPRHISEPFH-AWEZNQCLSA-N 1 1 288.420 3.225 40 0 CGABMO Cc1ccnc([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000257301693 190030103 /nfs/dbraw/zinc/03/01/03/190030103.db2.gz RZLHTMCOBQBBON-ZDUSSCGKSA-N 1 1 289.329 3.053 40 0 CGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000257301693 190030104 /nfs/dbraw/zinc/03/01/04/190030104.db2.gz RZLHTMCOBQBBON-ZDUSSCGKSA-N 1 1 289.329 3.053 40 0 CGABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000257318146 190032625 /nfs/dbraw/zinc/03/26/25/190032625.db2.gz VMRMFPPMOFTHDU-CQSZACIVSA-N 1 1 287.794 3.428 40 0 CGABMO c1cc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257326526 190034898 /nfs/dbraw/zinc/03/48/98/190034898.db2.gz WXNMNNFYFQLDAU-CQSZACIVSA-N 1 1 292.386 3.023 40 0 CGABMO Nc1ccccc1OC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000575423919 377907556 /nfs/dbraw/zinc/90/75/56/377907556.db2.gz TWPXBBQZWWSGGZ-INIZCTEOSA-N 1 1 282.387 3.312 40 0 CGABMO CNc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212525 392197843 /nfs/dbraw/zinc/19/78/43/392197843.db2.gz CEVNGCRQIWKGSU-INIZCTEOSA-N 1 1 267.376 3.460 40 0 CGABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212621 392199237 /nfs/dbraw/zinc/19/92/37/392199237.db2.gz FVBZHBWSCXYWJW-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO Cc1nc(N2CCCC2)ccc1[C@@H]1CCCC[N@@H+]1C ZINC000072218934 392200473 /nfs/dbraw/zinc/20/04/73/392200473.db2.gz MKAFEOKQMIHKFL-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1[nH]c(=S)ccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218383 392200530 /nfs/dbraw/zinc/20/05/30/392200530.db2.gz OADIQWKYMYIDCZ-ZDUSSCGKSA-N 1 1 250.411 3.472 40 0 CGABMO CCCN(CCC)c1cc(C)c([C@@H](O)CC)c[nH+]1 ZINC000072223290 392203289 /nfs/dbraw/zinc/20/32/89/392203289.db2.gz MPDNHACVIZXHOX-AWEZNQCLSA-N 1 1 250.386 3.460 40 0 CGABMO Clc1ccc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072381579 392206005 /nfs/dbraw/zinc/20/60/05/392206005.db2.gz MJHFNQHUYKJNAD-LBPRGKRZSA-N 1 1 261.756 3.053 40 0 CGABMO CC[N@@H+](C[C@@H](O)COc1ccccc1)C1CCCCC1 ZINC000006438587 170201263 /nfs/dbraw/zinc/20/12/63/170201263.db2.gz HHYZHASZNQSYDT-MRXNPFEDSA-N 1 1 277.408 3.081 40 0 CGABMO CC1=C2C(=[NH+]CCc3cccs3)NC=N[C@@H]2SC1C ZINC000028616841 171566966 /nfs/dbraw/zinc/56/69/66/171566966.db2.gz WYKSKEUSZHRFQX-GXTWGEPZSA-N 1 1 291.445 3.304 40 0 CGABMO CCOCC[NH2+][C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000035182982 172036932 /nfs/dbraw/zinc/03/69/32/172036932.db2.gz VKWBAOCJZWLZJU-KRWDZBQOSA-N 1 1 283.371 3.237 40 0 CGABMO c1csc(C[N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)c1 ZINC000035442896 172202452 /nfs/dbraw/zinc/20/24/52/172202452.db2.gz HBIKQNYIGLALQK-NSHDSACASA-N 1 1 284.388 3.009 40 0 biogenic,in-vitro CGABMO Cc1ccc2oc([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000035446475 172203184 /nfs/dbraw/zinc/20/31/84/172203184.db2.gz KRBCRSHSCISZQA-LBPRGKRZSA-N 1 1 256.349 3.478 40 0 biogenic,in-vitro CGABMO NC[C@@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCC1 ZINC000039789200 174173573 /nfs/dbraw/zinc/17/35/73/174173573.db2.gz SAHMBTSGZRHQJZ-IBGZPJMESA-N 1 1 296.414 3.361 40 0 CGABMO CSc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000072324649 176369553 /nfs/dbraw/zinc/36/95/53/176369553.db2.gz JVJKUUUZHSHHMB-UKRRQHHQSA-N 1 1 276.449 3.077 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375924 176385120 /nfs/dbraw/zinc/38/51/20/176385120.db2.gz JKUBYOPIHLEZDK-CQSZACIVSA-N 1 1 297.406 3.203 40 0 CGABMO C[N@@H+]1CC[C@@H]2c3c4ccccc4[nH]c3C(C)(C)O[C@H]2C1 ZINC000005618603 277158467 /nfs/dbraw/zinc/15/84/67/277158467.db2.gz OOCBOEDELGAYRA-JSGCOSHPSA-N 1 1 270.376 3.221 40 0 CGABMO C[N@H+]1CC[C@@H]2c3c4ccccc4[nH]c3C(C)(C)O[C@H]2C1 ZINC000005618603 277158469 /nfs/dbraw/zinc/15/84/69/277158469.db2.gz OOCBOEDELGAYRA-JSGCOSHPSA-N 1 1 270.376 3.221 40 0 CGABMO C[N@H+]1CCc2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 ZINC000000306694 277187424 /nfs/dbraw/zinc/18/74/24/277187424.db2.gz JCTYWRARKVGOBK-AWEZNQCLSA-N 1 1 279.339 3.167 40 0 endogenous,in-man CGABMO CCCC[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000299817233 570387843 /nfs/dbraw/zinc/38/78/43/570387843.db2.gz OBLFRFGUZZRECT-CQSZACIVSA-N 1 1 289.375 3.253 40 0 in-vitro CGABMO CC(C)[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000095534782 185008328 /nfs/dbraw/zinc/00/83/28/185008328.db2.gz PMDDIAXFTUFWGJ-ZDUSSCGKSA-N 1 1 272.396 3.425 40 0 CGABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 ZINC000096055777 185076701 /nfs/dbraw/zinc/07/67/01/185076701.db2.gz QVOMJPGFJDWIPM-DLBZAZTESA-N 1 1 276.399 3.130 40 0 CGABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096056713 185077182 /nfs/dbraw/zinc/07/71/82/185077182.db2.gz WLUZQRWPHGWGOF-HZPDHXFCSA-N 1 1 295.448 3.074 40 0 CGABMO O[C@]12CCCC[C@H]1C[N@@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000019375138 344890204 /nfs/dbraw/zinc/89/02/04/344890204.db2.gz DRALRCCXSSHPOB-HKUYNNGSSA-N 1 1 299.414 3.089 40 0 CGABMO C[N@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000059229692 345206683 /nfs/dbraw/zinc/20/66/83/345206683.db2.gz OFPJOWXBDHSDOQ-HKUYNNGSSA-N 1 1 278.399 3.495 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000205691545 346283423 /nfs/dbraw/zinc/28/34/23/346283423.db2.gz BAORVPCULJKPJQ-ZDUSSCGKSA-N 1 1 261.394 3.127 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000205691545 346283426 /nfs/dbraw/zinc/28/34/26/346283426.db2.gz BAORVPCULJKPJQ-ZDUSSCGKSA-N 1 1 261.394 3.127 40 0 CGABMO CN1C(=O)CC[C@]12CCC[N@@H+](CC1CCCCC1)CC2 ZINC000585100532 346724519 /nfs/dbraw/zinc/72/45/19/346724519.db2.gz MNHUPRSDQCVRAM-KRWDZBQOSA-N 1 1 278.440 3.044 40 0 CGABMO Cc1nc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cs1 ZINC000120592048 370784225 /nfs/dbraw/zinc/78/42/25/370784225.db2.gz UJIYMULOXZRMMR-NSHDSACASA-N 1 1 279.434 3.288 40 0 CGABMO Cc1nc(C[N@H+]2CCC[C@H](c3nccs3)C2)cs1 ZINC000120592048 370784226 /nfs/dbraw/zinc/78/42/26/370784226.db2.gz UJIYMULOXZRMMR-NSHDSACASA-N 1 1 279.434 3.288 40 0 CGABMO Cc1cc(C)c(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000003865339 368522491 /nfs/dbraw/zinc/52/24/91/368522491.db2.gz RRGHERDNNOVPPF-DLBZAZTESA-N 1 1 291.435 3.226 40 0 CGABMO CC(C)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020107750 368804082 /nfs/dbraw/zinc/80/40/82/368804082.db2.gz PYOMRHFNZWLRML-AWEZNQCLSA-N 1 1 274.408 3.057 40 0 CGABMO CCCC(CCC)CCC[C@H]1COCC[N@H+]1CCO ZINC000031283197 368912515 /nfs/dbraw/zinc/91/25/15/368912515.db2.gz QSFOWAYMMZCQNF-INIZCTEOSA-N 1 1 271.445 3.066 40 0 in-man CGABMO Brc1ccc2nc([C@@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000037441236 369084787 /nfs/dbraw/zinc/08/47/87/369084787.db2.gz IJBISQGUDCIZBL-JTQLQIEISA-N 1 1 280.169 3.140 40 0 CGABMO CC(C)CC[N@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169059 369390771 /nfs/dbraw/zinc/39/07/71/369390771.db2.gz KWOWJOFZTYDRHP-ZDUSSCGKSA-N 1 1 257.381 3.398 40 0 biogenic,in-vitro CGABMO Cc1nc(Nc2ccc(Cl)c(Cl)c2)cc(N)[nH+]1 ZINC000049467281 369402244 /nfs/dbraw/zinc/40/22/44/369402244.db2.gz CVKBAIOFIQVVNJ-UHFFFAOYSA-N 1 1 269.135 3.418 40 0 CGABMO Cc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N)[nH+]1 ZINC000049467284 369402629 /nfs/dbraw/zinc/40/26/29/369402629.db2.gz YJAHNLZQTPARAS-UHFFFAOYSA-N 1 1 269.135 3.418 40 0 CGABMO C[N@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)Nc1cccc(F)c1 ZINC000096252219 370209419 /nfs/dbraw/zinc/20/94/19/370209419.db2.gz QXFJBMGVOOQUFV-OCZCAGDBSA-N 1 1 290.382 3.132 40 0 CGABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)N1c1ccccc1 ZINC000096056614 370203306 /nfs/dbraw/zinc/20/33/06/370203306.db2.gz QGLPJNIQJUBHBQ-IAGOWNOFSA-N 1 1 296.370 3.050 40 0 CGABMO c1cc(COC[C@@]23CCC[C@@H]2C[N@@H+](CC2CC2)C3)ccn1 ZINC000096207293 370207015 /nfs/dbraw/zinc/20/70/15/370207015.db2.gz SRYQSHLQFWNXBJ-MSOLQXFVSA-N 1 1 286.419 3.110 40 0 CGABMO CCCn1cc(C[NH2+]Cc2cccc(F)c2F)c(C)n1 ZINC000256053445 190004966 /nfs/dbraw/zinc/00/49/66/190004966.db2.gz RMSZKPRXBANUSF-UHFFFAOYSA-N 1 1 279.334 3.170 40 0 CGABMO COc1ccc(OC)c(C[NH2+]Cc2ccc(F)s2)c1 ZINC000256050650 190003368 /nfs/dbraw/zinc/00/33/68/190003368.db2.gz FZTAFDBFVHAQAD-UHFFFAOYSA-N 1 1 281.352 3.194 40 0 CGABMO Fc1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1F ZINC000257216613 190014151 /nfs/dbraw/zinc/01/41/51/190014151.db2.gz CVJCBAPASJKKHL-LBPRGKRZSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1cccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1F ZINC000257216613 190014152 /nfs/dbraw/zinc/01/41/52/190014152.db2.gz CVJCBAPASJKKHL-LBPRGKRZSA-N 1 1 289.329 3.134 40 0 CGABMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cncs3)C2)cn1 ZINC000257219857 190014218 /nfs/dbraw/zinc/01/42/18/190014218.db2.gz DIMMPKKAKVQICF-OAHLLOKOSA-N 1 1 287.432 3.301 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccnc(-c3ccnn3C)c2)C1 ZINC000257241611 190018721 /nfs/dbraw/zinc/01/87/21/190018721.db2.gz HYSKERPBETZDCL-INIZCTEOSA-N 1 1 298.434 3.145 40 0 CGABMO c1cc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257326525 190035216 /nfs/dbraw/zinc/03/52/16/190035216.db2.gz WXNMNNFYFQLDAU-AWEZNQCLSA-N 1 1 292.386 3.023 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(F)c1 ZINC000224957534 376290199 /nfs/dbraw/zinc/29/01/99/376290199.db2.gz PGCBWJZTMZDKQJ-INIZCTEOSA-N 1 1 292.398 3.210 40 0 CGABMO Cc1cc(N2CCCC2)ncc1[C@H]1CCCC[N@@H+]1C ZINC000072218875 392200363 /nfs/dbraw/zinc/20/03/63/392200363.db2.gz ZJOZHUVRZCOQGC-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2cccc(C)n2)o1 ZINC000096184674 392246571 /nfs/dbraw/zinc/24/65/71/392246571.db2.gz VLWWFIYDAHQFPC-IRXDYDNUSA-N 1 1 297.402 3.145 40 0 CGABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227951 292280147 /nfs/dbraw/zinc/28/01/47/292280147.db2.gz OPTVSLMAFGKSFH-GJZGRUSLSA-N 1 1 286.762 3.064 40 0 CGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC(C)(C)C)cc2)C1 ZINC000020481527 171222460 /nfs/dbraw/zinc/22/24/60/171222460.db2.gz DKQLZGYJZILSTR-CQSZACIVSA-N 1 1 288.435 3.447 40 0 CGABMO Cc1cccc(-c2cncc([C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072359269 176376602 /nfs/dbraw/zinc/37/66/02/176376602.db2.gz SGLXAQOLRGQOIN-OAHLLOKOSA-N 1 1 267.376 3.261 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000072364011 176378946 /nfs/dbraw/zinc/37/89/46/176378946.db2.gz LBMOIIPWPHQQST-CQSZACIVSA-N 1 1 259.328 3.194 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000072364011 176378947 /nfs/dbraw/zinc/37/89/47/176378947.db2.gz LBMOIIPWPHQQST-CQSZACIVSA-N 1 1 259.328 3.194 40 0 CGABMO CC(C)Nc1ncc(C[NH2+]Cc2ccccc2Cl)cn1 ZINC000062717604 262302399 /nfs/dbraw/zinc/30/23/99/262302399.db2.gz MUYBQFZIKPNHCT-UHFFFAOYSA-N 1 1 290.798 3.240 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000257322536 262745836 /nfs/dbraw/zinc/74/58/36/262745836.db2.gz WGJQSMDJEPZDEN-MRXNPFEDSA-N 1 1 269.392 3.108 40 0 CGABMO CC(=O)N1CCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1C ZINC000072219273 275457043 /nfs/dbraw/zinc/45/70/43/275457043.db2.gz VHHKVNNMTVALON-INIZCTEOSA-N 1 1 287.407 3.064 40 0 CGABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227953 278862710 /nfs/dbraw/zinc/86/27/10/278862710.db2.gz OPTVSLMAFGKSFH-CABCVRRESA-N 1 1 286.762 3.064 40 0 CGABMO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000367466901 527534787 /nfs/dbraw/zinc/53/47/87/527534787.db2.gz DLSXMBKLWCNFFI-BXBHGGAKSA-N 1 1 295.430 3.388 40 0 CGABMO Cc1occc1-c1n[nH]c([C@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095533962 185006932 /nfs/dbraw/zinc/00/69/32/185006932.db2.gz JVZBDECGBSMCHS-GFCCVEGCSA-N 1 1 288.738 3.075 40 0 CGABMO COc1ccc(CN2CCC3(CCCC[N@H+]3C)CC2)cc1 ZINC000096051198 185073923 /nfs/dbraw/zinc/07/39/23/185073923.db2.gz UVFNKOSNOLYUOP-UHFFFAOYSA-N 1 1 288.435 3.146 40 0 CGABMO CC[C@@H]1[N@@H+](Cc2ccsc2)CCC[C@]12CCC(=O)N2C ZINC000096052413 185074124 /nfs/dbraw/zinc/07/41/24/185074124.db2.gz LPTAPQCLFWZXIB-HOCLYGCPSA-N 1 1 292.448 3.114 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)s1 ZINC000096061559 185082300 /nfs/dbraw/zinc/08/23/00/185082300.db2.gz JXOIMWQUUOIMIW-DLBZAZTESA-N 1 1 287.428 3.234 40 0 CGABMO CC(C)Nc1nc(N2CCc3ccccc3[C@H]2C)cc[nH+]1 ZINC000328977313 136377358 /nfs/dbraw/zinc/37/73/58/136377358.db2.gz FTEKHWAUYIQZCN-CYBMUJFWSA-N 1 1 282.391 3.421 40 0 CGABMO C[C@H]1CC[C@H](C)[NH+]1c1ccc(N2CCCC2)c(N)c1 ZINC000008701420 344875033 /nfs/dbraw/zinc/87/50/33/344875033.db2.gz DRUVGFHYCGYOHJ-STQMWFEESA-N 1 1 259.397 3.246 40 0 CGABMO CCOCC[C@@H]1Cn2cccc2C[N@@H+](CC2CCC2)C1 ZINC000585095091 346724226 /nfs/dbraw/zinc/72/42/26/346724226.db2.gz DZGSBRNKQBBMTK-INIZCTEOSA-N 1 1 276.424 3.147 40 0 CGABMO CCCCCO[C@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000002031763 282677669 /nfs/dbraw/zinc/67/76/69/282677669.db2.gz NVBMNAJIDBGGOY-SECBINFHSA-N 1 1 276.635 3.494 40 0 CGABMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000156165366 188246695 /nfs/dbraw/zinc/24/66/95/188246695.db2.gz SUADLAKCMLFWMR-HNNXBMFYSA-N 1 1 268.360 3.080 40 0 CGABMO C[N@H+]1CCCC(c2ccccc2)(c2ccccc2)[C@H](O)C1 ZINC000001646400 368426416 /nfs/dbraw/zinc/42/64/16/368426416.db2.gz VQALXBBEVZUWGN-GOSISDBHSA-N 1 1 281.399 3.059 40 0 CGABMO CCOc1cc(C=O)ccc1OCC[N@H+]1CCCC[C@H]1C ZINC000015014299 368688327 /nfs/dbraw/zinc/68/83/27/368688327.db2.gz ZZKZXXSEENWWQU-CQSZACIVSA-N 1 1 291.391 3.151 40 0 CGABMO c1c2cccnc2[nH]c1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019346917 368747848 /nfs/dbraw/zinc/74/78/48/368747848.db2.gz HZSACAQHSUAIAE-INIZCTEOSA-N 1 1 292.386 3.338 40 0 CGABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cccs1 ZINC000019287509 368748126 /nfs/dbraw/zinc/74/81/26/368748126.db2.gz KPAFAURTLGKUNJ-XHDPSFHLSA-N 1 1 271.389 3.108 40 0 CGABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cccs1 ZINC000019287509 368748131 /nfs/dbraw/zinc/74/81/31/368748131.db2.gz KPAFAURTLGKUNJ-XHDPSFHLSA-N 1 1 271.389 3.108 40 0 CGABMO O[C@@]12CCCC[C@@H]1C[N@@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000019375133 368750501 /nfs/dbraw/zinc/75/05/01/368750501.db2.gz DRALRCCXSSHPOB-IEBWSBKVSA-N 1 1 299.414 3.089 40 0 CGABMO c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)nc1 ZINC000049168881 369390631 /nfs/dbraw/zinc/39/06/31/369390631.db2.gz IWUNLTLSIMMCCS-ZDUSSCGKSA-N 1 1 279.343 3.212 40 0 biogenic,in-vitro CGABMO Nc1cc(Nc2cccc(Cl)c2)nc(C2CC2)[nH+]1 ZINC000049467598 369402489 /nfs/dbraw/zinc/40/24/89/369402489.db2.gz FJIKWLZPRANURP-UHFFFAOYSA-N 1 1 260.728 3.333 40 0 CGABMO Cc1ccc(Nc2cc(N)nc(C3CC3)[nH+]2)cc1C ZINC000049467583 369402594 /nfs/dbraw/zinc/40/25/94/369402594.db2.gz HGWIOMCFGSGDQD-UHFFFAOYSA-N 1 1 254.337 3.297 40 0 CGABMO Cc1nc(N(C)C)ccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072218761 369815229 /nfs/dbraw/zinc/81/52/29/369815229.db2.gz SKYTUHJGSNISBT-OAHLLOKOSA-N 1 1 261.413 3.391 40 0 CGABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213722 369815397 /nfs/dbraw/zinc/81/53/97/369815397.db2.gz HSCRDEAPPJFXFJ-HNNXBMFYSA-N 1 1 259.397 3.449 40 0 CGABMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC000096268574 370209548 /nfs/dbraw/zinc/20/95/48/370209548.db2.gz XCLAKTGLPULDCJ-INIZCTEOSA-N 1 1 278.827 3.258 40 0 CGABMO c1ccc2c(c1)N[C@@H]1[C@H]2CC[N@H+]2C[C@@H]3CCCC[C@H]3[C@@H]12 ZINC000102805618 370312189 /nfs/dbraw/zinc/31/21/89/370312189.db2.gz LKHAUIVLOLWBIF-FWOLOJGPSA-N 1 1 268.404 3.459 40 0 CGABMO CC[C@H](C)n1nccc1C[NH2+]Cc1cc(C(C)C)nn1C ZINC000256053734 190005194 /nfs/dbraw/zinc/00/51/94/190005194.db2.gz SPSYYAPWFWUXSB-ZDUSSCGKSA-N 1 1 289.427 3.001 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000257234001 190016886 /nfs/dbraw/zinc/01/68/86/190016886.db2.gz GRQWRQPQMGQIPS-AWEZNQCLSA-N 1 1 261.413 3.241 40 0 CGABMO c1ncc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)s1 ZINC000257233850 190017212 /nfs/dbraw/zinc/01/72/12/190017212.db2.gz GQZOXPKDKJUNFF-AWEZNQCLSA-N 1 1 273.405 3.135 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@H](c3nccc(C)n3)C2)cc1 ZINC000257220371 190014836 /nfs/dbraw/zinc/01/48/36/190014836.db2.gz DKOOUKUHNKFZFZ-INIZCTEOSA-N 1 1 267.376 3.083 40 0 CGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccccc3C)C2)n1 ZINC000257223838 190014917 /nfs/dbraw/zinc/01/49/17/190014917.db2.gz DZCYCOMBRCJQFW-INIZCTEOSA-N 1 1 267.376 3.083 40 0 CGABMO Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N ZINC000072218469 291989074 /nfs/dbraw/zinc/98/90/74/291989074.db2.gz VMVLYISOMIAQHK-CYBMUJFWSA-N 1 1 291.395 3.434 40 0 CGABMO CNc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212466 392197287 /nfs/dbraw/zinc/19/72/87/392197287.db2.gz TUZPLAISOKKPDJ-MRXNPFEDSA-N 1 1 267.376 3.460 40 0 CGABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C)CC)nc1 ZINC000072212722 392199242 /nfs/dbraw/zinc/19/92/42/392199242.db2.gz FESCBUXSPGKIQA-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO Cc1cc(=O)[nH]cc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218130 392200494 /nfs/dbraw/zinc/20/04/94/392200494.db2.gz XOYJSMCJFFKWGK-MRXNPFEDSA-N 1 1 268.360 3.433 40 0 CGABMO CCCNc1ccc(CNC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000072224247 392202951 /nfs/dbraw/zinc/20/29/51/392202951.db2.gz BGWVDEBTTIXDSV-UHFFFAOYSA-N 1 1 279.384 3.237 40 0 CGABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)cc1 ZINC000095534170 392244409 /nfs/dbraw/zinc/24/44/09/392244409.db2.gz IITWSZRHHGHJRT-HNNXBMFYSA-N 1 1 278.359 3.137 40 0 CGABMO COCc1cncc2c1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096189271 392246718 /nfs/dbraw/zinc/24/67/18/392246718.db2.gz JEXDBYUSNKLUNE-UHFFFAOYSA-N 1 1 288.416 3.156 40 0 CGABMO COCc1cncc2c1CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096189271 392246722 /nfs/dbraw/zinc/24/67/22/392246722.db2.gz JEXDBYUSNKLUNE-UHFFFAOYSA-N 1 1 288.416 3.156 40 0 CGABMO CCOc1ccccc1N1CCN(c2cccc(C)[nH+]2)CC1 ZINC000114183289 135083425 /nfs/dbraw/zinc/08/34/25/135083425.db2.gz GNBUSZOVFJHTSD-UHFFFAOYSA-N 1 1 297.402 3.115 40 0 CGABMO C[N@@H+]1CCC[C@H](OC(=O)c2cc3ccccc3s2)C1 ZINC000004990948 170050783 /nfs/dbraw/zinc/05/07/83/170050783.db2.gz RIYPJYNEUYIPGA-LBPRGKRZSA-N 1 1 275.373 3.152 40 0 CGABMO C[N@H+]1CCC[C@H](OC(=O)c2cc3ccccc3s2)C1 ZINC000004990948 170050785 /nfs/dbraw/zinc/05/07/85/170050785.db2.gz RIYPJYNEUYIPGA-LBPRGKRZSA-N 1 1 275.373 3.152 40 0 CGABMO C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000006001476 170167242 /nfs/dbraw/zinc/16/72/42/170167242.db2.gz AUULAHNRCXSKGA-HNNXBMFYSA-N 1 1 297.826 3.344 40 0 CGABMO C[N@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358362 176375927 /nfs/dbraw/zinc/37/59/27/176375927.db2.gz QMRVSWBWEAXRTQ-LBPRGKRZSA-N 1 1 271.339 3.092 40 0 CGABMO C[N@H+]1CCC[C@H](c2ccc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365257 176380524 /nfs/dbraw/zinc/38/05/24/176380524.db2.gz CNMCJFWFIIJTHM-KRWDZBQOSA-N 1 1 282.387 3.050 40 0 CGABMO C[N@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375106 176385356 /nfs/dbraw/zinc/38/53/56/176385356.db2.gz RCXPCXOVZXIAJA-NSHDSACASA-N 1 1 260.366 3.048 40 0 CGABMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C)C2)cc1 ZINC000072384979 176388779 /nfs/dbraw/zinc/38/87/79/176388779.db2.gz LPLKCXAXGOXJEN-HNNXBMFYSA-N 1 1 285.391 3.106 40 0 CGABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ccncn2)c1 ZINC000072385066 176389460 /nfs/dbraw/zinc/38/94/60/176389460.db2.gz KLMKVHCTAUILGA-QGZVFWFLSA-N 1 1 283.375 3.212 40 0 CGABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1cccc(C=O)c1 ZINC000217788648 262344669 /nfs/dbraw/zinc/34/46/69/262344669.db2.gz ONBWXIDWHYEVNX-OKILXGFUSA-N 1 1 261.365 3.141 40 0 CGABMO CC[N@H+]1CCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218852 276379976 /nfs/dbraw/zinc/37/99/76/276379976.db2.gz AKWDUUPDZNYMBP-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO CC[NH+](CC)[C@@H](CN)c1ccccc1C(F)(F)F ZINC000022214825 279145300 /nfs/dbraw/zinc/14/53/00/279145300.db2.gz CIMXURRRDNKBPD-LBPRGKRZSA-N 1 1 260.303 3.047 40 0 CGABMO Cc1cccc(-c2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)c1 ZINC000095534029 185006506 /nfs/dbraw/zinc/00/65/06/185006506.db2.gz VTIPPSSTBGRMPB-AWEZNQCLSA-N 1 1 298.777 3.482 40 0 CGABMO [NH3+][C@@H](c1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1 ZINC000095533401 185006584 /nfs/dbraw/zinc/00/65/84/185006584.db2.gz SEXBYBLWKZOTQO-CYBMUJFWSA-N 1 1 284.750 3.173 40 0 CGABMO C([C@H]1C[C@@H]1C1CCCCC1)[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714851 346304652 /nfs/dbraw/zinc/30/46/52/346304652.db2.gz MSFDEISPJHZVBL-TVFCKZIOSA-N 1 1 276.468 3.419 40 0 CGABMO C([C@H]1C[C@@H]1C1CCCCC1)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225714851 346304656 /nfs/dbraw/zinc/30/46/56/346304656.db2.gz MSFDEISPJHZVBL-TVFCKZIOSA-N 1 1 276.468 3.419 40 0 CGABMO CC(C)C[N@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099685 346724733 /nfs/dbraw/zinc/72/47/33/346724733.db2.gz XRMHCENIZJIEPY-GOSISDBHSA-N 1 1 292.467 3.147 40 0 CGABMO CCC[N@H+]1CCCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218639 283322470 /nfs/dbraw/zinc/32/24/70/283322470.db2.gz SARUFQROCWEPON-HNNXBMFYSA-N 1 1 261.413 3.393 40 0 CGABMO C(C1CCCCC1)C1CCC(NC2=[NH+]CCO2)CC1 ZINC000001639300 368426211 /nfs/dbraw/zinc/42/62/11/368426211.db2.gz OIOMLUHKIJXKNB-UHFFFAOYSA-N 1 1 264.413 3.491 40 0 CGABMO CC[C@]1(CO)CCC[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]21 ZINC000004214637 368536969 /nfs/dbraw/zinc/53/69/69/368536969.db2.gz BKRBRZLECKMEBD-QZTJIDSGSA-N 1 1 284.403 3.250 40 0 in-man CGABMO CC[C@]1(CO)CCC[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]21 ZINC000004214637 368536974 /nfs/dbraw/zinc/53/69/74/368536974.db2.gz BKRBRZLECKMEBD-QZTJIDSGSA-N 1 1 284.403 3.250 40 0 in-man CGABMO Cc1ccc(C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)o1 ZINC000013998577 368672775 /nfs/dbraw/zinc/67/27/75/368672775.db2.gz NRPSSTDTMBXEHE-UHFFFAOYSA-N 1 1 296.370 3.336 40 0 CGABMO Cc1ccsc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000013997285 368673100 /nfs/dbraw/zinc/67/31/00/368673100.db2.gz CWWADVRQBIPQBL-UHFFFAOYSA-N 1 1 275.417 3.441 40 0 CGABMO Cc1cccc(NCc2ccc(O)c3ncccc23)[nH+]1 ZINC000020026834 368793685 /nfs/dbraw/zinc/79/36/85/368793685.db2.gz BJESPHSCSQTISN-UHFFFAOYSA-N 1 1 265.316 3.256 40 0 CGABMO C[N@@H+](CCC(=O)c1cccs1)Cc1ccccc1 ZINC000034429355 368973743 /nfs/dbraw/zinc/97/37/43/368973743.db2.gz ZFHDLFSAKBZORM-UHFFFAOYSA-N 1 1 259.374 3.453 40 0 CGABMO Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000046882660 369298565 /nfs/dbraw/zinc/29/85/65/369298565.db2.gz RAZDSFRUKHELOH-GASCZTMLSA-N 1 1 288.435 3.011 40 0 CGABMO C[C@@H]([NH3+])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000089262319 370040514 /nfs/dbraw/zinc/04/05/14/370040514.db2.gz DKPKYAQUQHYMAN-RXMQYKEDSA-N 1 1 258.108 3.063 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 ZINC000257205186 190011828 /nfs/dbraw/zinc/01/18/28/190011828.db2.gz AXZWYDLZJOOKQA-OAHLLOKOSA-N 1 1 284.407 3.135 40 0 CGABMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cncs3)C2)cn1 ZINC000257219856 190013737 /nfs/dbraw/zinc/01/37/37/190013737.db2.gz DIMMPKKAKVQICF-HNNXBMFYSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000257288958 190027723 /nfs/dbraw/zinc/02/77/23/190027723.db2.gz PWKPWUJUQXHBHR-ZDUSSCGKSA-N 1 1 275.421 3.088 40 0 CGABMO Cc1c[nH]c([C@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000257295726 190028518 /nfs/dbraw/zinc/02/85/18/190028518.db2.gz QZPRFNUKBRPVRT-OAHLLOKOSA-N 1 1 255.365 3.098 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000257299791 190029474 /nfs/dbraw/zinc/02/94/74/190029474.db2.gz RRPQTNPTBZYCDR-ZDUSSCGKSA-N 1 1 270.380 3.060 40 0 CGABMO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)s1 ZINC000257342598 190037026 /nfs/dbraw/zinc/03/70/26/190037026.db2.gz ZPKKEGREWPFYSF-ZDUSSCGKSA-N 1 1 273.405 3.226 40 0 CGABMO CC(C)c1ccc(OCc2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000257344689 377796688 /nfs/dbraw/zinc/79/66/88/377796688.db2.gz ZYHOOOLIOXIEED-AWEZNQCLSA-N 1 1 285.391 3.189 40 0 CGABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212897 392198589 /nfs/dbraw/zinc/19/85/89/392198589.db2.gz YQUSGMJNBUFRLP-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO CCC[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215924 392199223 /nfs/dbraw/zinc/19/92/23/392199223.db2.gz UYIADHNZQDJRPI-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO CC[C@H](O)c1c[nH+]c(NCc2ccccc2)cc1C ZINC000072223370 392203295 /nfs/dbraw/zinc/20/32/95/392203295.db2.gz DSXFGEPYMOHXEA-HNNXBMFYSA-N 1 1 256.349 3.446 40 0 CGABMO CCCNc1cc(C)c(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072223204 392203334 /nfs/dbraw/zinc/20/33/34/392203334.db2.gz LWBYGBTYFYVRML-UHFFFAOYSA-N 1 1 279.384 3.237 40 0 CGABMO CC[NH2+][C@]1(c2ccccc2Cl)CCCCC1=O ZINC000199887674 397664675 /nfs/dbraw/zinc/66/46/75/397664675.db2.gz ITBBBZIIFJJMDU-AWEZNQCLSA-N 1 1 251.757 3.288 40 0 in-vitro CGABMO CC[NH2+][C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000199887698 397664678 /nfs/dbraw/zinc/66/46/78/397664678.db2.gz ITBBBZIIFJJMDU-CQSZACIVSA-N 1 1 251.757 3.288 40 0 in-vitro CGABMO [NH2+]=C(c1ccccc1)[C@](O)(c1ccccc1)c1cccnc1 ZINC000020508954 171229724 /nfs/dbraw/zinc/22/97/24/171229724.db2.gz PHUZSAJDONRRRM-IBGZPJMESA-N 1 1 288.350 3.386 40 0 CGABMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c1 ZINC000072385060 176389472 /nfs/dbraw/zinc/38/94/72/176389472.db2.gz KPPRRBMPRNNKNT-OAHLLOKOSA-N 1 1 285.391 3.106 40 0 CGABMO CC[N@@H+]1CCCC[C@H]1c1cccnc1Br ZINC000072211626 279282929 /nfs/dbraw/zinc/28/29/29/279282929.db2.gz KDRWNXLCEVSYLS-NSHDSACASA-N 1 1 269.186 3.391 40 0 CGABMO CC[N@H+]1CCCC[C@H]1c1cccnc1Br ZINC000072211626 279282932 /nfs/dbraw/zinc/28/29/32/279282932.db2.gz KDRWNXLCEVSYLS-NSHDSACASA-N 1 1 269.186 3.391 40 0 CGABMO Cc1cc(N)[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218536 280539926 /nfs/dbraw/zinc/53/99/26/280539926.db2.gz UEZXOTJOEMPWPX-INIZCTEOSA-N 1 1 295.386 3.340 40 0 CGABMO Cc1ccc([C@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000095534138 185007484 /nfs/dbraw/zinc/00/74/84/185007484.db2.gz ZUQMWTSLDCTHJJ-AWEZNQCLSA-N 1 1 298.777 3.482 40 0 CGABMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccncc2)cc1 ZINC000078719455 345620149 /nfs/dbraw/zinc/62/01/49/345620149.db2.gz SCWQZZYVNQIZBK-QGZVFWFLSA-N 1 1 268.360 3.427 40 0 CGABMO CC[C@H](OC[C@H](O)C[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000248089026 346373795 /nfs/dbraw/zinc/37/37/95/346373795.db2.gz KZUCROJGSXJBCA-NXHRZFHOSA-N 1 1 291.435 3.390 40 0 CGABMO CCC[N@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211613 283342784 /nfs/dbraw/zinc/34/27/84/283342784.db2.gz HUSNGTIBVQWWPN-NSHDSACASA-N 1 1 269.186 3.391 40 0 CGABMO O=C(C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000001598627 368422011 /nfs/dbraw/zinc/42/20/11/368422011.db2.gz HFWAWINHWRYYPY-UHFFFAOYSA-N 1 1 282.181 3.118 40 0 CGABMO COc1ccc(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000001615859 368423661 /nfs/dbraw/zinc/42/36/61/368423661.db2.gz CAOZXOQIYGOHTD-GJZGRUSLSA-N 1 1 287.403 3.390 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1 ZINC000010542999 368583402 /nfs/dbraw/zinc/58/34/02/368583402.db2.gz OVMHHRYYDZAXDD-MRXNPFEDSA-N 1 1 274.408 3.071 40 0 CGABMO CCN(CC)C(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000030757032 368905640 /nfs/dbraw/zinc/90/56/40/368905640.db2.gz XDNQAJCJECXHDJ-HNNXBMFYSA-N 1 1 288.435 3.401 40 0 CGABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212618 369815134 /nfs/dbraw/zinc/81/51/34/369815134.db2.gz FKYPKCQXOLSMPQ-OAHLLOKOSA-N 1 1 261.413 3.331 40 0 CGABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096058307 370203378 /nfs/dbraw/zinc/20/33/78/370203378.db2.gz DHCBSTHURSWVMT-BZSNNMDCSA-N 1 1 282.387 3.112 40 0 CGABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096058307 370203379 /nfs/dbraw/zinc/20/33/79/370203379.db2.gz DHCBSTHURSWVMT-BZSNNMDCSA-N 1 1 282.387 3.112 40 0 CGABMO C[N@H+]1CC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257232453 190016658 /nfs/dbraw/zinc/01/66/58/190016658.db2.gz GKXJGAULUOJUKA-LBPRGKRZSA-N 1 1 276.767 3.338 40 0 CGABMO Cc1cccc(C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257221297 190014782 /nfs/dbraw/zinc/01/47/82/190014782.db2.gz DOJDQTRCTMPWBM-MRXNPFEDSA-N 1 1 281.403 3.240 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@@H](c3nccc(C)n3)C2)s1 ZINC000257241833 190018735 /nfs/dbraw/zinc/01/87/35/190018735.db2.gz HZUHHDVVAYMYNM-CYBMUJFWSA-N 1 1 273.405 3.144 40 0 CGABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257293208 190028555 /nfs/dbraw/zinc/02/85/55/190028555.db2.gz QOOCJXAJCUQIQV-ZDUSSCGKSA-N 1 1 280.375 3.189 40 0 CGABMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000257326447 190034792 /nfs/dbraw/zinc/03/47/92/190034792.db2.gz WXGPHUJYARQERT-INIZCTEOSA-N 1 1 271.364 3.146 40 0 CGABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000257326447 190034793 /nfs/dbraw/zinc/03/47/93/190034793.db2.gz WXGPHUJYARQERT-INIZCTEOSA-N 1 1 271.364 3.146 40 0 CGABMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000257326448 190035130 /nfs/dbraw/zinc/03/51/30/190035130.db2.gz WXGPHUJYARQERT-MRXNPFEDSA-N 1 1 271.364 3.146 40 0 CGABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000257326448 190035131 /nfs/dbraw/zinc/03/51/31/190035131.db2.gz WXGPHUJYARQERT-MRXNPFEDSA-N 1 1 271.364 3.146 40 0 CGABMO c1cn2c(cccc2[C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257332415 190035861 /nfs/dbraw/zinc/03/58/61/190035861.db2.gz XXGIMBMTOMHWAF-HNNXBMFYSA-N 1 1 278.359 3.066 40 0 CGABMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000006008997 170167733 /nfs/dbraw/zinc/16/77/33/170167733.db2.gz DLZMVAOOHDIQFA-KRWDZBQOSA-N 1 1 291.435 3.308 40 0 CGABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(C=O)cc1 ZINC000008731549 170351008 /nfs/dbraw/zinc/35/10/08/170351008.db2.gz IZKQVCMKTOGYCT-CQSZACIVSA-N 1 1 261.365 3.142 40 0 CGABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1Cl ZINC000072324447 176369821 /nfs/dbraw/zinc/36/98/21/176369821.db2.gz NRHQMUAHRORING-JSGCOSHPSA-N 1 1 264.800 3.009 40 0 CGABMO C[N@H+]1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072343509 176372273 /nfs/dbraw/zinc/37/22/73/176372273.db2.gz NHILNWYNNDOWCY-MRXNPFEDSA-N 1 1 282.387 3.050 40 0 CGABMO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C)C2)c1 ZINC000072358358 176375954 /nfs/dbraw/zinc/37/59/54/176375954.db2.gz RYBIMNTZYSXCTF-OAHLLOKOSA-N 1 1 267.376 3.261 40 0 CGABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+](C)C3)n2)n1 ZINC000072375909 176385002 /nfs/dbraw/zinc/38/50/02/176385002.db2.gz WIESMBFPPKAWRE-CQSZACIVSA-N 1 1 297.406 3.041 40 0 CGABMO c1ccc(OCc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000031561894 260142536 /nfs/dbraw/zinc/14/25/36/260142536.db2.gz UCFBSPYKXGMZPT-UHFFFAOYSA-N 1 1 297.398 3.140 40 0 CGABMO Brc1ccc2nc([C@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000037441238 275370012 /nfs/dbraw/zinc/37/00/12/275370012.db2.gz IJBISQGUDCIZBL-SNVBAGLBSA-N 1 1 280.169 3.140 40 0 CGABMO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2nccn2C)C1 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COc1ccc([C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034143464 368972153 /nfs/dbraw/zinc/97/21/53/368972153.db2.gz CNIBEWABPVGSSN-IBGZPJMESA-N 1 1 297.398 3.179 40 0 CGABMO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000046959905 369301337 /nfs/dbraw/zinc/30/13/37/369301337.db2.gz MKNWQEMCMBUTHT-OAHLLOKOSA-N 1 1 288.435 3.155 40 0 CGABMO CCOC(=O)C1=C(C)/C(=C/C=C2\C=CC=C[N@@H+]2C)C(C)=N1 ZINC000334139382 206046702 /nfs/dbraw/zinc/04/67/02/206046702.db2.gz MZABXGNGBHMJQI-BMJMZVRVSA-N 1 1 284.359 3.124 40 0 CGABMO CCOC(=O)C1=C(C)/C(=C/C=C2\C=CC=C[N@H+]2C)C(C)=N1 ZINC000334139382 206046704 /nfs/dbraw/zinc/04/67/04/206046704.db2.gz MZABXGNGBHMJQI-BMJMZVRVSA-N 1 1 284.359 3.124 40 0 CGABMO CC(C)n1nc(C2CC2)cc1C[NH2+]Cc1ccco1 ZINC000256053990 190004845 /nfs/dbraw/zinc/00/48/45/190004845.db2.gz UMKFHMSZOWYQSU-UHFFFAOYSA-N 1 1 259.353 3.224 40 0 CGABMO CCCn1cc(C[NH2+]Cc2cc(F)ccc2F)c(C)n1 ZINC000256051279 190003490 /nfs/dbraw/zinc/00/34/90/190003490.db2.gz INBJEXKLCIAOSO-UHFFFAOYSA-N 1 1 279.334 3.170 40 0 CGABMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)o1 ZINC000257240428 190018804 /nfs/dbraw/zinc/01/88/04/190018804.db2.gz HTLSBRNRMQWMQI-HNNXBMFYSA-N 1 1 257.337 3.105 40 0 CGABMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccncn2)o1 ZINC000257240428 190018805 /nfs/dbraw/zinc/01/88/05/190018805.db2.gz HTLSBRNRMQWMQI-HNNXBMFYSA-N 1 1 257.337 3.105 40 0 CGABMO Cc1ccsc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257312975 190032269 /nfs/dbraw/zinc/03/22/69/190032269.db2.gz UQLZDIIIJHOBSP-ZDUSSCGKSA-N 1 1 273.405 3.226 40 0 CGABMO CCC[N@@H+]1CCC[C@H]1c1ccc(Br)nc1 ZINC000072211555 392197387 /nfs/dbraw/zinc/19/73/87/392197387.db2.gz FXLAMFNSAHDCJN-NSHDSACASA-N 1 1 269.186 3.391 40 0 CGABMO CCC[N@H+]1CCC[C@H]1c1ccc(Br)nc1 ZINC000072211555 392197394 /nfs/dbraw/zinc/19/73/94/392197394.db2.gz FXLAMFNSAHDCJN-NSHDSACASA-N 1 1 269.186 3.391 40 0 CGABMO Cc1cc([C@H]2CCC[N@@H+]2C)cnc1N1CCCCC1 ZINC000072219146 392200239 /nfs/dbraw/zinc/20/02/39/392200239.db2.gz UGSRPJZBSJGSRI-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO C[N@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216057 392200691 /nfs/dbraw/zinc/20/06/91/392200691.db2.gz LJQXCTXRIIGVGZ-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000072227840 292237540 /nfs/dbraw/zinc/23/75/40/292237540.db2.gz BTCIJQGBGBLYCM-IAGOWNOFSA-N 1 1 280.371 3.027 40 0 CGABMO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000006055941 170172644 /nfs/dbraw/zinc/17/26/44/170172644.db2.gz HAOASDQKFXFZSW-QGZVFWFLSA-N 1 1 291.435 3.308 40 0 CGABMO C[N@H+]1CCC[C@H](c2cnc(-c3ccc(F)c(F)c3)cn2)C1 ZINC000072365102 176380215 /nfs/dbraw/zinc/38/02/15/176380215.db2.gz XBXBGNJOTVOKFX-LBPRGKRZSA-N 1 1 289.329 3.231 40 0 CGABMO Cc1cc(Nc2nccs2)nc([C@H]2CCCC[N@H+]2C)n1 ZINC000072382354 176388339 /nfs/dbraw/zinc/38/83/39/176388339.db2.gz COMAKCOQKVCAEK-LLVKDONJSA-N 1 1 289.408 3.142 40 0 CGABMO Cc1cc(Nc2nccs2)nc([C@H]2CCCC[N@@H+]2C)n1 ZINC000072382354 176388340 /nfs/dbraw/zinc/38/83/40/176388340.db2.gz COMAKCOQKVCAEK-LLVKDONJSA-N 1 1 289.408 3.142 40 0 CGABMO c1cc2c(nc[nH+]c2N[C@H]2CCc3ccccc32)[nH]1 ZINC000077291843 177250338 /nfs/dbraw/zinc/25/03/38/177250338.db2.gz UVNSDOGOYDQGLY-ZDUSSCGKSA-N 1 1 250.305 3.057 40 0 in-vitro CGABMO CO[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000096217444 274064237 /nfs/dbraw/zinc/06/42/37/274064237.db2.gz JZVDREQPBACFHY-OTWHNJEPSA-N 1 1 297.398 3.218 40 0 CGABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227952 278852790 /nfs/dbraw/zinc/85/27/90/278852790.db2.gz OPTVSLMAFGKSFH-HUUCEWRRSA-N 1 1 286.762 3.064 40 0 CGABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2)c1 ZINC000072227432 278921698 /nfs/dbraw/zinc/92/16/98/278921698.db2.gz AEIHWHJHLOUVTG-HUUCEWRRSA-N 1 1 286.762 3.064 40 0 CGABMO C([C@H]1C[C@H]1C1CCCCC1)[N@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218838941 333137084 /nfs/dbraw/zinc/13/70/84/333137084.db2.gz MSFDEISPJHZVBL-XMTFNYHQSA-N 1 1 276.468 3.419 40 0 CGABMO C([C@H]1C[C@H]1C1CCCCC1)N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218838941 333137085 /nfs/dbraw/zinc/13/70/85/333137085.db2.gz MSFDEISPJHZVBL-XMTFNYHQSA-N 1 1 276.468 3.419 40 0 CGABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000095534096 185007584 /nfs/dbraw/zinc/00/75/84/185007584.db2.gz OBZLUKSYMSQKPA-AWEZNQCLSA-N 1 1 298.777 3.482 40 0 CGABMO CC(C)OC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccco1)C2 ZINC000096040494 185068758 /nfs/dbraw/zinc/06/87/58/185068758.db2.gz KDBLBJLALHWEKL-SJORKVTESA-N 1 1 293.407 3.076 40 0 CGABMO CO[C@@H]1CC[N@@H+](Cc2ccco2)[C@H]1Cc1ccccc1 ZINC000096061570 185082632 /nfs/dbraw/zinc/08/26/32/185082632.db2.gz IXNKRHQVLRWBBO-DLBZAZTESA-N 1 1 271.360 3.112 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000205691971 346283386 /nfs/dbraw/zinc/28/33/86/346283386.db2.gz WNZDZXDJAUEUCC-CYBMUJFWSA-N 1 1 261.394 3.127 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000205691971 346283392 /nfs/dbraw/zinc/28/33/92/346283392.db2.gz WNZDZXDJAUEUCC-CYBMUJFWSA-N 1 1 261.394 3.127 40 0 CGABMO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2cccs2)C1 ZINC000585094638 346724311 /nfs/dbraw/zinc/72/43/11/346724311.db2.gz BVZLFNAXKMZELZ-CQSZACIVSA-N 1 1 290.432 3.218 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)cc1 ZINC000010543007 368583860 /nfs/dbraw/zinc/58/38/60/368583860.db2.gz UPUZWOYZUMOMJN-KRWDZBQOSA-N 1 1 288.435 3.379 40 0 CGABMO CC[NH+](CC)[C@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000019262326 368746770 /nfs/dbraw/zinc/74/67/70/368746770.db2.gz AMLOLOJKDZELSU-GFCCVEGCSA-N 1 1 261.196 3.335 40 0 CGABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1 ZINC000019287488 368748184 /nfs/dbraw/zinc/74/81/84/368748184.db2.gz JPYBVISCVFIKRR-KBXCAEBGSA-N 1 1 295.386 3.055 40 0 CGABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1 ZINC000019287488 368748188 /nfs/dbraw/zinc/74/81/88/368748188.db2.gz JPYBVISCVFIKRR-KBXCAEBGSA-N 1 1 295.386 3.055 40 0 CGABMO Cc1ccc(C)c(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000046959974 369302118 /nfs/dbraw/zinc/30/21/18/369302118.db2.gz VVDACMDUKYEGKS-HNNXBMFYSA-N 1 1 288.435 3.155 40 0 CGABMO c1ccc2c(c1)N[C@@H]1[C@H]2CC[N@H+]2C[C@H]3CCCC[C@@H]3[C@@H]12 ZINC000102805627 370311886 /nfs/dbraw/zinc/31/18/86/370311886.db2.gz LKHAUIVLOLWBIF-ZFOGPFJYSA-N 1 1 268.404 3.459 40 0 CGABMO CCN(C)c1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072212797 284371743 /nfs/dbraw/zinc/37/17/43/284371743.db2.gz GTNUDNWEMKHOOK-OAHLLOKOSA-N 1 1 261.413 3.473 40 0 CGABMO CCCn1ccnc1C[N@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257212013 190013253 /nfs/dbraw/zinc/01/32/53/190013253.db2.gz CBNWDADKVKECOE-QGZVFWFLSA-N 1 1 298.434 3.285 40 0 CGABMO Cc1c[nH]c(-c2cc([C@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257242902 190018510 /nfs/dbraw/zinc/01/85/10/190018510.db2.gz IEQVQIXAXBXMQB-AWEZNQCLSA-N 1 1 299.422 3.071 40 0 CGABMO Cc1ccc(Nc2nc([C@H]3CCC[N@H+]3C)cs2)nc1 ZINC000257280751 190025447 /nfs/dbraw/zinc/02/54/47/190025447.db2.gz OMFLVZCXMFTAEX-GFCCVEGCSA-N 1 1 274.393 3.357 40 0 CGABMO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+]3C)cs2)nc1 ZINC000257280751 190025448 /nfs/dbraw/zinc/02/54/48/190025448.db2.gz OMFLVZCXMFTAEX-GFCCVEGCSA-N 1 1 274.393 3.357 40 0 CGABMO Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCC[N@H+]2C)n1 ZINC000257291623 190027456 /nfs/dbraw/zinc/02/74/56/190027456.db2.gz QHXCLEGMLNFYJN-INIZCTEOSA-N 1 1 299.422 3.386 40 0 CGABMO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1cncc(C)n1 ZINC000257274483 190024604 /nfs/dbraw/zinc/02/46/04/190024604.db2.gz NLGCTLGCQRCYIA-CQSZACIVSA-N 1 1 273.405 3.492 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](c2cncc(-c3cncs3)n2)C1 ZINC000257339504 190037189 /nfs/dbraw/zinc/03/71/89/190037189.db2.gz ZCAAMFQIJNWKSA-LBPRGKRZSA-N 1 1 288.420 3.188 40 0 CGABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000257339634 190037226 /nfs/dbraw/zinc/03/72/26/190037226.db2.gz ZCOKRDIHXDFCMY-CQSZACIVSA-N 1 1 287.794 3.428 40 0 CGABMO Fc1cccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1F ZINC000193859429 375931338 /nfs/dbraw/zinc/93/13/38/375931338.db2.gz DFMONPQVSZDGDI-NSHDSACASA-N 1 1 277.318 3.068 40 0 CGABMO CNc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212465 392196862 /nfs/dbraw/zinc/19/68/62/392196862.db2.gz TUZPLAISOKKPDJ-INIZCTEOSA-N 1 1 267.376 3.460 40 0 CGABMO COc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211711 392197368 /nfs/dbraw/zinc/19/73/68/392197368.db2.gz TWSOZIVUPGPZOL-MRXNPFEDSA-N 1 1 268.360 3.427 40 0 CGABMO Cc1[nH]c(=S)ccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218384 392199868 /nfs/dbraw/zinc/19/98/68/392199868.db2.gz OADIQWKYMYIDCZ-CYBMUJFWSA-N 1 1 250.411 3.472 40 0 CGABMO Cc1cc(N(C)Cc2ccccc2)[nH+]cc1[C@H](C)O ZINC000072223396 392202966 /nfs/dbraw/zinc/20/29/66/392202966.db2.gz NQWFTHRIWYUVEN-ZDUSSCGKSA-N 1 1 256.349 3.080 40 0 CGABMO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000006008629 170167944 /nfs/dbraw/zinc/16/79/44/170167944.db2.gz XQJJCWQPGBNOEV-QGZVFWFLSA-N 1 1 291.435 3.308 40 0 CGABMO C[C@@H]1CCCC[N@H+]1CCCOc1cccc(C=O)c1 ZINC000009261536 170369428 /nfs/dbraw/zinc/36/94/28/170369428.db2.gz SWKWGFBTWXHGIY-CQSZACIVSA-N 1 1 261.365 3.142 40 0 CGABMO COc1ccccc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1 ZINC000022441784 171387654 /nfs/dbraw/zinc/38/76/54/171387654.db2.gz 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ZINC000072211710 392197424 /nfs/dbraw/zinc/19/74/24/392197424.db2.gz TWSOZIVUPGPZOL-INIZCTEOSA-N 1 1 268.360 3.427 40 0 CGABMO Cc1nc(N2CCCCC2)ccc1[C@H]1CCC[N@@H+]1C ZINC000072219266 392200419 /nfs/dbraw/zinc/20/04/19/392200419.db2.gz CAFCKPSWNPUCGJ-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc2nc(-c3ccc[n+](C)c3)[nH]c2cc1Cl ZINC000226774486 393015444 /nfs/dbraw/zinc/01/54/44/393015444.db2.gz JQPGNRBGPXBAML-UHFFFAOYSA-N 1 1 258.732 3.016 40 0 CGABMO c1cc(NC2CCCCC2)ccc1C[NH+]1CCOCC1 ZINC000020188869 171054208 /nfs/dbraw/zinc/05/42/08/171054208.db2.gz DRXUJDLPAMCLGQ-UHFFFAOYSA-N 1 1 274.408 3.263 40 0 CGABMO CC[C@@H](C)[C@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441209 173211222 /nfs/dbraw/zinc/21/12/22/173211222.db2.gz PURFUQMZTZSMDZ-HQJQHLMTSA-N 1 1 282.185 3.371 40 0 CGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000038832576 174157303 /nfs/dbraw/zinc/15/73/03/174157303.db2.gz ZHIRRWYNLYWCJM-UHFFFAOYSA-N 1 1 297.402 3.302 40 0 CGABMO CCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038858835 174157833 /nfs/dbraw/zinc/15/78/33/174157833.db2.gz XVPJZHMVULWMIX-QGZVFWFLSA-N 1 1 288.435 3.205 40 0 CGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000044914451 175276209 /nfs/dbraw/zinc/27/62/09/175276209.db2.gz PZEHTZLMJIMEGY-CQSZACIVSA-N 1 1 297.402 3.112 40 0 CGABMO C[N@H+]1CC[C@H](NCc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000072341602 176371459 /nfs/dbraw/zinc/37/14/59/176371459.db2.gz MGDXGLUHKKGPKT-HKUYNNGSSA-N 1 1 298.405 3.403 40 0 CGABMO CN1CC[C@H]([NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000072341602 176371460 /nfs/dbraw/zinc/37/14/60/176371460.db2.gz MGDXGLUHKKGPKT-HKUYNNGSSA-N 1 1 298.405 3.403 40 0 CGABMO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1n[nH]cc1C ZINC000072366785 176381910 /nfs/dbraw/zinc/38/19/10/176381910.db2.gz NVUBOZCBORIQIZ-HNNXBMFYSA-N 1 1 285.391 3.454 40 0 CGABMO CCOc1ccccc1C[N@H+]1CCC[C@H]1c1n[nH]cc1C ZINC000072366785 176381911 /nfs/dbraw/zinc/38/19/11/176381911.db2.gz NVUBOZCBORIQIZ-HNNXBMFYSA-N 1 1 285.391 3.454 40 0 CGABMO Cc1ccsc1C[N@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072369370 176384155 /nfs/dbraw/zinc/38/41/55/176384155.db2.gz SXQZXDHIDRAXMO-ZDUSSCGKSA-N 1 1 273.405 3.226 40 0 CGABMO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000072379097 176385482 /nfs/dbraw/zinc/38/54/82/176385482.db2.gz ADGHBWSYUQICKE-AWEZNQCLSA-N 1 1 270.380 3.157 40 0 CGABMO C[N@H+]1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072379102 176386257 /nfs/dbraw/zinc/38/62/57/176386257.db2.gz WXQJJSSNYRIPGZ-INIZCTEOSA-N 1 1 287.794 3.488 40 0 CGABMO Cc1cccc(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)n1 ZINC000072385805 176390368 /nfs/dbraw/zinc/39/03/68/176390368.db2.gz VNIBATRLJZRPJX-KRWDZBQOSA-N 1 1 281.403 3.240 40 0 CGABMO COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1c1cnc(C)nc1C2 ZINC000072398234 176396447 /nfs/dbraw/zinc/39/64/47/176396447.db2.gz JNUZQINHAODLSY-PBHICJAKSA-N 1 1 295.386 3.055 40 0 CGABMO COc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1c1cnc(C)nc1C2 ZINC000072398234 176396448 /nfs/dbraw/zinc/39/64/48/176396448.db2.gz JNUZQINHAODLSY-PBHICJAKSA-N 1 1 295.386 3.055 40 0 CGABMO O[C@@H]1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2C1 ZINC000005084610 275054222 /nfs/dbraw/zinc/05/42/22/275054222.db2.gz YZHQOLWNBFSHQZ-KYZVSKTDSA-N 1 1 296.414 3.248 40 0 CGABMO Cc1cc(-c2cccc([C@@H]3CCC[N@@H+]3C(C)C)n2)n[nH]1 ZINC000257280278 301034504 /nfs/dbraw/zinc/03/45/04/301034504.db2.gz OKHKXXOWLSUUOG-INIZCTEOSA-N 1 1 270.380 3.325 40 0 CGABMO C[C@@H]1C[C@](O)(Cc2cccc3ccccc32)[C@@H](C)C[N@H+]1C ZINC000022002500 344893620 /nfs/dbraw/zinc/89/36/20/344893620.db2.gz NVBSQIZIZBOTAX-KHYOSLBOSA-N 1 1 283.415 3.474 40 0 CGABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+](C)C3)n2)s1 ZINC000585262535 346726065 /nfs/dbraw/zinc/72/60/65/346726065.db2.gz DHONIPVBMFPLAY-LBPRGKRZSA-N 1 1 288.420 3.399 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000121201056 370839954 /nfs/dbraw/zinc/83/99/54/370839954.db2.gz VELXBFCCPZAOEG-LBPRGKRZSA-N 1 1 261.394 3.159 40 0 CGABMO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)s1 ZINC000121201056 370839956 /nfs/dbraw/zinc/83/99/56/370839956.db2.gz VELXBFCCPZAOEG-LBPRGKRZSA-N 1 1 261.394 3.159 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)s1 ZINC000121201056 370839959 /nfs/dbraw/zinc/83/99/59/370839959.db2.gz VELXBFCCPZAOEG-LBPRGKRZSA-N 1 1 261.394 3.159 40 0 CGABMO COC(=O)/C(=C\c1ccccc1)C[N@H+]1CCCC[C@@H]1C ZINC000001759960 368438028 /nfs/dbraw/zinc/43/80/28/368438028.db2.gz CYTSEDNEUSSRPV-QXPQOBGOSA-N 1 1 273.376 3.117 40 0 CGABMO C[N@H+]1CCO[C@H](c2ccccc2)c2ccsc2CC1 ZINC000005759113 368565127 /nfs/dbraw/zinc/56/51/27/368565127.db2.gz JEJCTUDPUWAFQR-MRXNPFEDSA-N 1 1 273.401 3.342 40 0 CGABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccncc4)C3)nc2c1 ZINC000049169015 369391243 /nfs/dbraw/zinc/39/12/43/369391243.db2.gz WJWWJDLOGZKUDN-ZDUSSCGKSA-N 1 1 296.349 3.087 40 0 biogenic,in-vitro CGABMO Fc1ccc2nc([C@H]3CC[N@H+](Cc4ccncc4)C3)[nH]c2c1 ZINC000049169015 369391248 /nfs/dbraw/zinc/39/12/48/369391248.db2.gz WJWWJDLOGZKUDN-ZDUSSCGKSA-N 1 1 296.349 3.087 40 0 biogenic,in-vitro CGABMO Fc1ccc2nc([C@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]c2c1 ZINC000049169015 369391255 /nfs/dbraw/zinc/39/12/55/369391255.db2.gz WJWWJDLOGZKUDN-ZDUSSCGKSA-N 1 1 296.349 3.087 40 0 biogenic,in-vitro CGABMO Cc1[nH+]c(N)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218596 369815280 /nfs/dbraw/zinc/81/52/80/369815280.db2.gz XOBMYCNMHYFXAI-INIZCTEOSA-N 1 1 295.386 3.340 40 0 CGABMO C[N@H+]1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306136606 374127700 /nfs/dbraw/zinc/12/77/00/374127700.db2.gz PXZUHTAOXJWPOH-ZDUSSCGKSA-N 1 1 298.415 3.267 40 0 CGABMO Fc1ccc(C[NH2+]Cc2cccc(F)c2F)s1 ZINC000256052474 190004520 /nfs/dbraw/zinc/00/45/20/190004520.db2.gz NLVQDKLYQWEYBC-UHFFFAOYSA-N 1 1 257.280 3.455 40 0 CGABMO CCOc1ccc(C[NH2+]Cc2ccn(CC(C)C)n2)cc1 ZINC000256054854 190005654 /nfs/dbraw/zinc/00/56/54/190005654.db2.gz YBKKVPSWUSJGNN-UHFFFAOYSA-N 1 1 287.407 3.228 40 0 CGABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3sccc3C)C2)n1 ZINC000257199778 190010605 /nfs/dbraw/zinc/01/06/05/190010605.db2.gz AAUCCQACEDNEHL-CYBMUJFWSA-N 1 1 275.421 3.088 40 0 CGABMO CC(C)n1nccc1-c1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257214585 190012956 /nfs/dbraw/zinc/01/29/56/190012956.db2.gz CMOARKOIDLTJDJ-AWEZNQCLSA-N 1 1 284.407 3.335 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000257217633 190014265 /nfs/dbraw/zinc/01/42/65/190014265.db2.gz CZWFJBAXHREUQL-HNNXBMFYSA-N 1 1 270.380 3.149 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000257217633 190014266 /nfs/dbraw/zinc/01/42/66/190014266.db2.gz CZWFJBAXHREUQL-HNNXBMFYSA-N 1 1 270.380 3.149 40 0 CGABMO CCCCn1cc(C[N@@H+]2CCC[C@H]2c2ccncn2)c(C)n1 ZINC000257264648 190023182 /nfs/dbraw/zinc/02/31/82/190023182.db2.gz LVLBVWLEIVGJML-KRWDZBQOSA-N 1 1 299.422 3.119 40 0 CGABMO CCCCn1cc(C[N@H+]2CCC[C@H]2c2ccncn2)c(C)n1 ZINC000257264648 190023183 /nfs/dbraw/zinc/02/31/83/190023183.db2.gz LVLBVWLEIVGJML-KRWDZBQOSA-N 1 1 299.422 3.119 40 0 CGABMO CCCn1nccc1-c1cc(C[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000257295922 190028218 /nfs/dbraw/zinc/02/82/18/190028218.db2.gz RALMITQBSREZPE-MRXNPFEDSA-N 1 1 298.434 3.239 40 0 CGABMO Cc1c[nH]c([C@H]2CC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000257298618 190029117 /nfs/dbraw/zinc/02/91/17/190029117.db2.gz RMNFMXJPZLENLZ-INIZCTEOSA-N 1 1 269.392 3.140 40 0 CGABMO Fc1cccc(F)c1C[NH+]1CCC(c2cnccn2)CC1 ZINC000257331034 190035779 /nfs/dbraw/zinc/03/57/79/190035779.db2.gz XRDARRKSEKMVBQ-UHFFFAOYSA-N 1 1 289.329 3.134 40 0 CGABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000257344690 190037931 /nfs/dbraw/zinc/03/79/31/190037931.db2.gz ZYHOOOLIOXIEED-CQSZACIVSA-N 1 1 285.391 3.189 40 0 CGABMO CC(C)C[N@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484487 376312727 /nfs/dbraw/zinc/31/27/27/376312727.db2.gz KAUJOPPNCZXBMM-AWEZNQCLSA-N 1 1 292.354 3.013 40 0 biogenic,in-vitro CGABMO CN(C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212645 392198984 /nfs/dbraw/zinc/19/89/84/392198984.db2.gz QCIWXTBIAIUAHA-KRWDZBQOSA-N 1 1 281.403 3.485 40 0 CGABMO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C ZINC000072214484 392199032 /nfs/dbraw/zinc/19/90/32/392199032.db2.gz BUVCPTNWBRLHEV-CYBMUJFWSA-N 1 1 291.395 3.220 40 0 CGABMO CC[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216034 392200502 /nfs/dbraw/zinc/20/05/02/392200502.db2.gz IXTPLFKJESMBKL-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO CCCNc1cc(C)c([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072223212 392202844 /nfs/dbraw/zinc/20/28/44/392202844.db2.gz FFLNIXFFQJYARZ-INIZCTEOSA-N 1 1 256.349 3.294 40 0 CGABMO CC[N@H+]1CCC[C@@H]1COCc1cccc(Br)c1 ZINC000096525817 392257688 /nfs/dbraw/zinc/25/76/88/392257688.db2.gz JGWOLPIDJOUCBL-CQSZACIVSA-N 1 1 298.224 3.450 40 0 CGABMO CCC(=O)OC1(c2ccccc2)[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000004712833 170003626 /nfs/dbraw/zinc/00/36/26/170003626.db2.gz BNLWVZWKDILPMJ-VMZNBEPHSA-N 1 1 275.392 3.053 40 0 CGABMO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@H]2CCCC[C@@H]21 ZINC000005008142 170054727 /nfs/dbraw/zinc/05/47/27/170054727.db2.gz TYRBZUUHADCCGQ-OKZBNKHCSA-N 1 1 287.403 3.339 40 0 CGABMO CC(C)[N@H+]1C[C@H](C)[C@@H](OC(=O)c2ccccc2)C[C@@H]1C ZINC000013118662 170533209 /nfs/dbraw/zinc/53/32/09/170533209.db2.gz OCFLFQDQCLZABG-DZKIICNBSA-N 1 1 275.392 3.351 40 0 CGABMO OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000072203659 176341416 /nfs/dbraw/zinc/34/14/16/176341416.db2.gz NCPWAVVWGPABNV-LBPRGKRZSA-N 1 1 274.191 3.340 40 0 CGABMO OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000072203659 176341417 /nfs/dbraw/zinc/34/14/17/176341417.db2.gz NCPWAVVWGPABNV-LBPRGKRZSA-N 1 1 274.191 3.340 40 0 CGABMO Cc1ccc([C@@H](C)CCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000072324753 176369906 /nfs/dbraw/zinc/36/99/06/176369906.db2.gz WBHMAMYMGDAOEJ-LZWOXQAQSA-N 1 1 276.424 3.250 40 0 CGABMO C[N@H+]1CCC[C@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000072364719 176379654 /nfs/dbraw/zinc/37/96/54/176379654.db2.gz HOHMQSMIZHSTHM-AWEZNQCLSA-N 1 1 268.364 3.029 40 0 CGABMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)ccn1 ZINC000072367931 176382236 /nfs/dbraw/zinc/38/22/36/176382236.db2.gz XKZLGHCNPWKEQT-QGZVFWFLSA-N 1 1 267.376 3.165 40 0 CGABMO C[N@H+]1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367693 176382664 /nfs/dbraw/zinc/38/26/64/176382664.db2.gz LNTYSVLORHGMFI-LLVKDONJSA-N 1 1 274.393 3.091 40 0 CGABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215925 277394451 /nfs/dbraw/zinc/39/44/51/277394451.db2.gz XOEXRWPHRNEPHD-MRXNPFEDSA-N 1 1 273.424 3.475 40 0 CGABMO Cc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000095534139 185006118 /nfs/dbraw/zinc/00/61/18/185006118.db2.gz ZUQMWTSLDCTHJJ-CQSZACIVSA-N 1 1 298.777 3.482 40 0 CGABMO CC(C)OC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccco1)C2 ZINC000096040495 185068978 /nfs/dbraw/zinc/06/89/78/185068978.db2.gz KDBLBJLALHWEKL-IAGOWNOFSA-N 1 1 293.407 3.076 40 0 CGABMO CCCOc1ccc(Cl)cc1-c1noc([C@@H](C)[NH3+])n1 ZINC000256050449 346398848 /nfs/dbraw/zinc/39/88/48/346398848.db2.gz FBBPUYUJFXPQPH-MRVPVSSYSA-N 1 1 281.743 3.199 40 0 CGABMO CCC[N@H+]1CCCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218698 283321514 /nfs/dbraw/zinc/32/15/14/283321514.db2.gz KJZLPTJXGMBIKV-OAHLLOKOSA-N 1 1 261.413 3.393 40 0 CGABMO COCC[N@@H+](C)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001667044 368427980 /nfs/dbraw/zinc/42/79/80/368427980.db2.gz HSDWGNMSFYTZSY-QZTJIDSGSA-N 1 1 285.387 3.040 40 0 CGABMO CC[N@@H+](C[C@H](O)COc1ccccc1C)C1CCCCC1 ZINC000016758596 368721433 /nfs/dbraw/zinc/72/14/33/368721433.db2.gz JZFIWEOJQARWKY-KRWDZBQOSA-N 1 1 291.435 3.389 40 0 CGABMO Cc1csc([C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000019931097 368786469 /nfs/dbraw/zinc/78/64/69/368786469.db2.gz SHNZWQFRANSKBK-JTQLQIEISA-N 1 1 283.194 3.262 40 0 CGABMO C[N@H+]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000082337874 370002109 /nfs/dbraw/zinc/00/21/09/370002109.db2.gz HHUIMFXANRBIGA-VIFPVBQESA-N 1 1 287.190 3.274 40 0 CGABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000257217596 190014049 /nfs/dbraw/zinc/01/40/49/190014049.db2.gz CZQSDIBZZFXGSG-CYBMUJFWSA-N 1 1 273.405 3.226 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000257242331 190018403 /nfs/dbraw/zinc/01/84/03/190018403.db2.gz IBYGNWQTSZCXBH-MRXNPFEDSA-N 1 1 292.386 3.256 40 0 CGABMO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2cccs2)n1 ZINC000257243994 190019005 /nfs/dbraw/zinc/01/90/05/190019005.db2.gz IJLJIMQUBVJEQF-AWEZNQCLSA-N 1 1 288.420 3.307 40 0 CGABMO c1cnc2ccc(C[N@H+]3CCC[C@H]3c3ccncn3)cc2c1 ZINC000257277930 190025252 /nfs/dbraw/zinc/02/52/52/190025252.db2.gz OABMDZBNQWBWFK-SFHVURJKSA-N 1 1 290.370 3.362 40 0 CGABMO CC(C)c1nccn1-c1ccnc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000257293099 190028376 /nfs/dbraw/zinc/02/83/76/190028376.db2.gz QOCNTJMKSXSVGV-CQSZACIVSA-N 1 1 284.407 3.200 40 0 CGABMO c1cc(NC2CC3(C2)CC[N@H+](C2CCCCC2)C3)ncn1 ZINC000257330438 190035534 /nfs/dbraw/zinc/03/55/34/190035534.db2.gz XOLHOJXAQZVSPB-UHFFFAOYSA-N 1 1 286.423 3.076 40 0 CGABMO CCc1cccc(CC)c1Nc1cc(C)[nH+]c(N)n1 ZINC000215545294 376148962 /nfs/dbraw/zinc/14/89/62/376148962.db2.gz YWJLAGQOOMOALS-UHFFFAOYSA-N 1 1 256.353 3.236 40 0 CGABMO CC(C)C[N@H+]1CC[C@H](c2nc3ccccc3n2C)C1 ZINC000049171183 392037291 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Cc1cn(C)c([C@@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000257322535 393135949 /nfs/dbraw/zinc/13/59/49/393135949.db2.gz WGJQSMDJEPZDEN-INIZCTEOSA-N 1 1 269.392 3.108 40 0 CGABMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000006455113 397603304 /nfs/dbraw/zinc/60/33/04/397603304.db2.gz CLGXEJOPRIEXHR-CVEARBPZSA-N 1 1 291.435 3.282 40 0 CGABMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000006455765 397603323 /nfs/dbraw/zinc/60/33/23/397603323.db2.gz CLGXEJOPRIEXHR-HOTGVXAUSA-N 1 1 291.435 3.282 40 0 CGABMO CC[C@@H](OC[C@@H](O)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000006356113 170195108 /nfs/dbraw/zinc/19/51/08/170195108.db2.gz RNHFVWMMSZZINT-RYQLBKOJSA-N 1 1 291.435 3.247 40 0 CGABMO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCNCC2)c1 ZINC000022126752 171354678 /nfs/dbraw/zinc/35/46/78/171354678.db2.gz KFFYFKUUFSRPDS-IBGZPJMESA-N 1 1 280.415 3.298 40 0 CGABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccccc2)C1 ZINC000044080772 175141085 /nfs/dbraw/zinc/14/10/85/175141085.db2.gz GUOZBHWBIPIHHG-CQSZACIVSA-N 1 1 291.464 3.095 40 0 CGABMO Cc1cccc(Nc2cc(C)nc([C@@H]3CCC[N@H+](C)C3)n2)n1 ZINC000072359943 176377015 /nfs/dbraw/zinc/37/70/15/176377015.db2.gz PLYRWKFUGQZMGC-CQSZACIVSA-N 1 1 297.406 3.041 40 0 CGABMO C[N@H+]1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072365069 176379988 /nfs/dbraw/zinc/37/99/88/176379988.db2.gz WXGXKTHHXUBWTB-ZDUSSCGKSA-N 1 1 269.348 3.078 40 0 CGABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3C(C)C)n2)nc1 ZINC000072377454 176385760 /nfs/dbraw/zinc/38/57/60/176385760.db2.gz NLATYIRTCIFXSN-HNNXBMFYSA-N 1 1 297.406 3.469 40 0 CGABMO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072384955 176388746 /nfs/dbraw/zinc/38/87/46/176388746.db2.gz FLVPXSIIJIMHOM-INIZCTEOSA-N 1 1 267.376 3.083 40 0 CGABMO Cc1cccc(C[N@H+]2CCC[C@@H](Cc3ccccn3)C2)n1 ZINC000072385807 176390594 /nfs/dbraw/zinc/39/05/94/176390594.db2.gz VRCTUQZEIJFFRV-INIZCTEOSA-N 1 1 281.403 3.240 40 0 CGABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215938 276158049 /nfs/dbraw/zinc/15/80/49/276158049.db2.gz 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/nfs/dbraw/zinc/72/60/98/346726098.db2.gz IVKHWRFSWMIGIC-OAHLLOKOSA-N 1 1 298.434 3.239 40 0 CGABMO FC(F)(F)C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000335566804 212275613 /nfs/dbraw/zinc/27/56/13/212275613.db2.gz DXDGTNOKXANTGB-SECBINFHSA-N 1 1 284.285 3.127 40 0 CGABMO COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)CC3 ZINC000000001614 368269605 /nfs/dbraw/zinc/26/96/05/368269605.db2.gz MKXZASYAUGDDCJ-KBAYOESNSA-N 1 1 271.404 3.383 40 0 in-man CGABMO Cc1cc(C)c(C[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1C ZINC000000140834 368301256 /nfs/dbraw/zinc/30/12/56/368301256.db2.gz YGAUHRIAVQQHDT-XYJFISCASA-N 1 1 275.436 3.246 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C)c1 ZINC000010543033 368583563 /nfs/dbraw/zinc/58/35/63/368583563.db2.gz OIJPHUOPOGLMLX-QGZVFWFLSA-N 1 1 288.435 3.379 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cccn2C)no1 ZINC000019119450 368744104 /nfs/dbraw/zinc/74/41/04/368744104.db2.gz PXWCNRRXFLGXPU-INIZCTEOSA-N 1 1 273.380 3.439 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccn2C)no1 ZINC000019119450 368744108 /nfs/dbraw/zinc/74/41/08/368744108.db2.gz PXWCNRRXFLGXPU-INIZCTEOSA-N 1 1 273.380 3.439 40 0 CGABMO C/C(=C\c1ccccc1)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000019575674 368757079 /nfs/dbraw/zinc/75/70/79/368757079.db2.gz AEWGFUWDVPVAQA-SZPPPQKLSA-N 1 1 270.420 3.258 40 0 CGABMO C[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000034797647 368978071 /nfs/dbraw/zinc/97/80/71/368978071.db2.gz JMOOQDCGQHQDQR-YFKPBYRVSA-N 1 1 258.108 3.063 40 0 CGABMO CC[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036092694 369007650 /nfs/dbraw/zinc/00/76/50/369007650.db2.gz NRJIKAHGLFNCAB-LSDHHAIUSA-N 1 1 288.435 3.447 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2cccc(C)n2)o1 ZINC000096184673 370206555 /nfs/dbraw/zinc/20/65/55/370206555.db2.gz VLWWFIYDAHQFPC-SJORKVTESA-N 1 1 297.402 3.145 40 0 CGABMO CC(C)Cn1cc(C[NH2+]Cc2cccc(F)c2F)cn1 ZINC000256049827 190003357 /nfs/dbraw/zinc/00/33/57/190003357.db2.gz BQNDTMBJRZEJOV-UHFFFAOYSA-N 1 1 279.334 3.107 40 0 CGABMO CC(C)n1nccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000257232197 190016756 /nfs/dbraw/zinc/01/67/56/190016756.db2.gz GJUHZUVNZXLBOT-ZDUSSCGKSA-N 1 1 290.436 3.300 40 0 CGABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000257217597 190014245 /nfs/dbraw/zinc/01/42/45/190014245.db2.gz CZQSDIBZZFXGSG-ZDUSSCGKSA-N 1 1 273.405 3.226 40 0 CGABMO Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257244334 190019061 /nfs/dbraw/zinc/01/90/61/190019061.db2.gz IKVNNVIAYXPPGN-HNNXBMFYSA-N 1 1 285.395 3.111 40 0 CGABMO Cc1nc(C[NH+]2CCC(C)(c3nccs3)CC2)cs1 ZINC000257305157 190030822 /nfs/dbraw/zinc/03/08/22/190030822.db2.gz SORIGIREBWWWLF-UHFFFAOYSA-N 1 1 293.461 3.462 40 0 CGABMO N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1OC1CCCC1 ZINC000242548874 376783335 /nfs/dbraw/zinc/78/33/35/376783335.db2.gz LXSMCOZCQWTNBZ-LTIDMASMSA-N 1 1 280.456 3.116 40 0 CGABMO CC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000248267145 377285144 /nfs/dbraw/zinc/28/51/44/377285144.db2.gz YEAAFHQYCUNACY-GOEBONIOSA-N 1 1 293.480 3.230 40 0 CGABMO CC(C)[N@@H+]1CCC[C@H]1c1ccc(Br)nc1 ZINC000072211553 392197329 /nfs/dbraw/zinc/19/73/29/392197329.db2.gz SVGVGIYBZDOYRX-NSHDSACASA-N 1 1 269.186 3.389 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(Br)nc1 ZINC000072211553 392197335 /nfs/dbraw/zinc/19/73/35/392197335.db2.gz SVGVGIYBZDOYRX-NSHDSACASA-N 1 1 269.186 3.389 40 0 CGABMO CC(C)[N@@H+]1CCCC[C@H]1c1cc(C(F)(F)F)n[nH]1 ZINC000072348459 392205991 /nfs/dbraw/zinc/20/59/91/392205991.db2.gz WLDSFTQJGQCCKS-JTQLQIEISA-N 1 1 261.291 3.364 40 0 CGABMO CC(C)[N@H+]1CCCC[C@H]1c1cc(C(F)(F)F)n[nH]1 ZINC000072348459 392205994 /nfs/dbraw/zinc/20/59/94/392205994.db2.gz WLDSFTQJGQCCKS-JTQLQIEISA-N 1 1 261.291 3.364 40 0 CGABMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000006007986 170168098 /nfs/dbraw/zinc/16/80/98/170168098.db2.gz FMLHDYSHTHBTBB-HOTGVXAUSA-N 1 1 291.435 3.424 40 0 CGABMO CCCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020454922 171208286 /nfs/dbraw/zinc/20/82/86/171208286.db2.gz SEBQSUIOPNNTCN-HNNXBMFYSA-N 1 1 288.435 3.448 40 0 CGABMO CCOc1ccc(Cl)cc1C[NH2+]CCN(CC)CC ZINC000022075937 171352173 /nfs/dbraw/zinc/35/21/73/171352173.db2.gz RBOTXWJAAMXLOM-UHFFFAOYSA-N 1 1 284.831 3.170 40 0 CGABMO OC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203660 176341711 /nfs/dbraw/zinc/34/17/11/176341711.db2.gz GGOZZRSSUUCLFE-JTQLQIEISA-N 1 1 274.191 3.198 40 0 CGABMO OC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203660 176341713 /nfs/dbraw/zinc/34/17/13/176341713.db2.gz GGOZZRSSUUCLFE-JTQLQIEISA-N 1 1 274.191 3.198 40 0 CGABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355681 176374717 /nfs/dbraw/zinc/37/47/17/176374717.db2.gz IHTGEFZCTQGWLD-HNNXBMFYSA-N 1 1 298.434 3.418 40 0 CGABMO C[N@H+]1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367692 176382277 /nfs/dbraw/zinc/38/22/77/176382277.db2.gz LNTYSVLORHGMFI-NSHDSACASA-N 1 1 274.393 3.091 40 0 CGABMO c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072369378 176384062 /nfs/dbraw/zinc/38/40/62/176384062.db2.gz UENOFHWEAKCOTM-AWEZNQCLSA-N 1 1 292.386 3.338 40 0 CGABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211612 276260599 /nfs/dbraw/zinc/26/05/99/276260599.db2.gz HUSNGTIBVQWWPN-LLVKDONJSA-N 1 1 269.186 3.391 40 0 CGABMO C[NH+]1CCC2(CC1)CN(Cc1ccco1)Cc1ccccc12 ZINC000096242383 277035492 /nfs/dbraw/zinc/03/54/92/277035492.db2.gz SECVQCCJOJRBNR-UHFFFAOYSA-N 1 1 296.414 3.259 40 0 CGABMO CC[NH+](CC)CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000002235678 279091713 /nfs/dbraw/zinc/09/17/13/279091713.db2.gz LHDCIPAKGLJYSI-WWGRRREGSA-N 1 1 267.413 3.086 40 0 CGABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215999 279282952 /nfs/dbraw/zinc/28/29/52/279282952.db2.gz OJNFZTVRYPEEHO-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000072227474 280860788 /nfs/dbraw/zinc/86/07/88/280860788.db2.gz UZORDBIIHHJAET-LSDHHAIUSA-N 1 1 286.762 3.064 40 0 CGABMO C[C@]12CCC[N@@H+](Cc3ccccc3)[C@@H]1CCCC2=O ZINC000095951581 185039689 /nfs/dbraw/zinc/03/96/89/185039689.db2.gz UHHJPFURMOOFJW-WBVHZDCISA-N 1 1 257.377 3.410 40 0 CGABMO CCOc1ccc(C[N@H+]2CCC[C@H](OC)CC2)cc1 ZINC000363674062 233991316 /nfs/dbraw/zinc/99/13/16/233991316.db2.gz RAEXUUJDTJNXSD-HNNXBMFYSA-N 1 1 263.381 3.086 40 0 CGABMO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1N ZINC000218885480 376191230 /nfs/dbraw/zinc/19/12/30/376191230.db2.gz CZDFEEUDCHNUSS-DFGXFYAUSA-N 1 1 288.435 3.154 40 0 CGABMO Cc1ccccc1O[C@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000218885480 376191238 /nfs/dbraw/zinc/19/12/38/376191238.db2.gz CZDFEEUDCHNUSS-DFGXFYAUSA-N 1 1 288.435 3.154 40 0 CGABMO CC(C)[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000001556507 368418018 /nfs/dbraw/zinc/41/80/18/368418018.db2.gz LFUOKMUOQPDWPU-OAHLLOKOSA-N 1 1 277.408 3.485 40 0 CGABMO CC(C)[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000001556507 368418022 /nfs/dbraw/zinc/41/80/22/368418022.db2.gz LFUOKMUOQPDWPU-OAHLLOKOSA-N 1 1 277.408 3.485 40 0 CGABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019462616 368754175 /nfs/dbraw/zinc/75/41/75/368754175.db2.gz OLCQIXXLUAVANR-OKILXGFUSA-N 1 1 282.391 3.017 40 0 CGABMO CC1=C2C(=[NH+]CCc3cccs3)NC=N[C@H]2SC1C ZINC000028616847 368887943 /nfs/dbraw/zinc/88/79/43/368887943.db2.gz WYKSKEUSZHRFQX-OCCSQVGLSA-N 1 1 291.445 3.304 40 0 CGABMO CC(C)C[N@H+]1CC[C@H](c2nnc(-c3ccccc3F)o2)C1 ZINC000049170551 369391345 /nfs/dbraw/zinc/39/13/45/369391345.db2.gz RCDKLLAWMMOYKN-LBPRGKRZSA-N 1 1 289.354 3.321 40 0 biogenic,in-vitro CGABMO CC(C)OC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccco1)C2 ZINC000096040497 370203111 /nfs/dbraw/zinc/20/31/11/370203111.db2.gz KDBLBJLALHWEKL-DLBZAZTESA-N 1 1 293.407 3.076 40 0 CGABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000096083223 370204732 /nfs/dbraw/zinc/20/47/32/370204732.db2.gz AYNHTTFJLDIDEF-BZSNNMDCSA-N 1 1 282.387 3.112 40 0 CGABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000096083223 370204734 /nfs/dbraw/zinc/20/47/34/370204734.db2.gz AYNHTTFJLDIDEF-BZSNNMDCSA-N 1 1 282.387 3.112 40 0 CGABMO COc1cccc(C[NH2+]Cc2ccc(F)s2)c1OC ZINC000256051145 190003669 /nfs/dbraw/zinc/00/36/69/190003669.db2.gz HYIFRFMFJYYEBF-UHFFFAOYSA-N 1 1 281.352 3.194 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(-c3ccnn3C)n2)C1 ZINC000257203318 190011532 /nfs/dbraw/zinc/01/15/32/190011532.db2.gz APMGDEIIFYFDFQ-CQSZACIVSA-N 1 1 284.407 3.070 40 0 CGABMO CCc1nc(C)c(C[N@H+]2CCC[C@H]2c2ccnc(NC)c2)[nH]1 ZINC000257243932 190018201 /nfs/dbraw/zinc/01/82/01/190018201.db2.gz IJDUMFIOLABSPW-HNNXBMFYSA-N 1 1 299.422 3.054 40 0 CGABMO Cc1ccc(Nc2nc([C@@H]3CCC[N@H+]3C)cs2)nc1 ZINC000257280752 190025586 /nfs/dbraw/zinc/02/55/86/190025586.db2.gz OMFLVZCXMFTAEX-LBPRGKRZSA-N 1 1 274.393 3.357 40 0 CGABMO Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+]3C)cs2)nc1 ZINC000257280752 190025587 /nfs/dbraw/zinc/02/55/87/190025587.db2.gz OMFLVZCXMFTAEX-LBPRGKRZSA-N 1 1 274.393 3.357 40 0 CGABMO CC[NH+](CC)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424727 391980102 /nfs/dbraw/zinc/98/01/02/391980102.db2.gz FCCCJDOXKLNBGS-GFCCVEGCSA-N 1 1 261.196 3.335 40 0 CGABMO Fc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069877505 392175686 /nfs/dbraw/zinc/17/56/86/392175686.db2.gz RYYSICOFDIVJBV-UHFFFAOYSA-N 1 1 262.353 3.449 40 0 CGABMO Nc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212351 392196754 /nfs/dbraw/zinc/19/67/54/392196754.db2.gz JXNYSCPKXLVWAZ-OAHLLOKOSA-N 1 1 253.349 3.001 40 0 CGABMO Cc1[nH+]c(N2CCCC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224514 392204423 /nfs/dbraw/zinc/20/44/23/392204423.db2.gz XAAIYSRWXWTCOG-UHFFFAOYSA-N 1 1 291.395 3.015 40 0 CGABMO CC(C)N(C)[C@@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1ccccc1 ZINC000096061677 392245522 /nfs/dbraw/zinc/24/55/22/392245522.db2.gz PCYQBVABHFQAFX-MOPGFXCFSA-N 1 1 286.463 3.422 40 0 CGABMO CC(C)[N@H+](C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccccc1 ZINC000096061677 392245525 /nfs/dbraw/zinc/24/55/25/392245525.db2.gz PCYQBVABHFQAFX-MOPGFXCFSA-N 1 1 286.463 3.422 40 0 CGABMO CC(C)[N@@H+](C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccccc1 ZINC000096061677 392245527 /nfs/dbraw/zinc/24/55/27/392245527.db2.gz PCYQBVABHFQAFX-MOPGFXCFSA-N 1 1 286.463 3.422 40 0 CGABMO C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2Br)C1 ZINC000037460441 173224075 /nfs/dbraw/zinc/22/40/75/173224075.db2.gz UKSFEDFIBQWRBQ-JTQLQIEISA-N 1 1 283.213 3.263 40 0 CGABMO Cc1cccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072363802 176378034 /nfs/dbraw/zinc/37/80/34/176378034.db2.gz HMYJASPSXLWXOF-INIZCTEOSA-N 1 1 267.376 3.165 40 0 CGABMO Cc1nc(Nc2nccs2)cc([C@H]2CCCC[N@@H+]2C)n1 ZINC000072382619 176388076 /nfs/dbraw/zinc/38/80/76/176388076.db2.gz AONUSXSUBICDCE-GFCCVEGCSA-N 1 1 289.408 3.142 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072385003 176389541 /nfs/dbraw/zinc/38/95/41/176389541.db2.gz UJCSQJKXWNCHFT-INIZCTEOSA-N 1 1 269.392 3.140 40 0 CGABMO Cc1cncc([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072385394 176389817 /nfs/dbraw/zinc/38/98/17/176389817.db2.gz HIJZZJWFYADRJD-INIZCTEOSA-N 1 1 297.402 3.043 40 0 CGABMO CCc1ncc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cn1 ZINC000072397945 176395435 /nfs/dbraw/zinc/39/54/35/176395435.db2.gz RUGSWLHGYNBWLC-ZDUSSCGKSA-N 1 1 285.391 3.241 40 0 CGABMO Cc1ccc(C2=C3C(=[NH+]C4CC4)NC=N[C@@H]3SC2)cc1 ZINC000057369702 274738992 /nfs/dbraw/zinc/73/89/92/274738992.db2.gz CGZSUYKZBZRKMI-GOEBONIOSA-N 1 1 283.400 3.217 40 0 CGABMO CC1(C)Cc2ccccc2CN1c1cc[nH+]c(NC2CC2)n1 ZINC000329054001 276151054 /nfs/dbraw/zinc/15/10/54/276151054.db2.gz VIWISYPYXNHYLI-UHFFFAOYSA-N 1 1 294.402 3.392 40 0 CGABMO CC[NH+]=C1NC=N[C@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369721 276264105 /nfs/dbraw/zinc/26/41/05/276264105.db2.gz AZRJWJICOQEBLE-HIFRSBDPSA-N 1 1 271.389 3.075 40 0 CGABMO CCOCC[C@@H]1CCOC12C[NH+](Cc1ccccc1C)C2 ZINC000248131438 276328022 /nfs/dbraw/zinc/32/80/22/276328022.db2.gz ATBJQJSUBJHGSM-QGZVFWFLSA-N 1 1 289.419 3.013 40 0 CGABMO CC(=O)O[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)[N@@H+]2C ZINC000005519253 278221335 /nfs/dbraw/zinc/22/13/35/278221335.db2.gz VOVORVLFYOGXMX-WCVJEAGWSA-N 1 1 293.794 3.222 40 0 CGABMO C[C@@H]1[C@H](O)C(c2ccccc2)(c2ccccc2)[C@H](C)C[N@H+]1C ZINC000005699670 279126726 /nfs/dbraw/zinc/12/67/26/279126726.db2.gz WVCHTOBQPKMTLU-MDZRGWNJSA-N 1 1 295.426 3.304 40 0 CGABMO [NH2+]=Cc1c(C(F)(F)F)c2c([nH]c1=S)CCCC2 ZINC000064220240 295024866 /nfs/dbraw/zinc/02/48/66/295024866.db2.gz DNGQQZLTYINQJA-UHFFFAOYSA-N 1 1 260.284 3.266 40 0 CGABMO CCCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000096081102 185091719 /nfs/dbraw/zinc/09/17/19/185091719.db2.gz LGYBKSOLYCPIFF-HDICACEKSA-N 1 1 272.436 3.240 40 0 CGABMO CCCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000096081102 185091721 /nfs/dbraw/zinc/09/17/21/185091721.db2.gz LGYBKSOLYCPIFF-HDICACEKSA-N 1 1 272.436 3.240 40 0 CGABMO CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H](C)[NH3+])n1 ZINC000256054060 346399318 /nfs/dbraw/zinc/39/93/18/346399318.db2.gz UUBFEWRLCOVYEQ-MRVPVSSYSA-N 1 1 281.743 3.197 40 0 CGABMO FC(F)(F)C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000335566805 212274562 /nfs/dbraw/zinc/27/45/62/212274562.db2.gz DXDGTNOKXANTGB-VIFPVBQESA-N 1 1 284.285 3.127 40 0 CGABMO Cc1ccc(C[N@@H+](CCO)Cc2cccs2)cc1C ZINC000013997398 368672834 /nfs/dbraw/zinc/67/28/34/368672834.db2.gz CYWJUUZNGYAYJN-UHFFFAOYSA-N 1 1 275.417 3.359 40 0 CGABMO c1c2cccnc2[nH]c1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019346923 368747931 /nfs/dbraw/zinc/74/79/31/368747931.db2.gz CRYNNRGKLFWLID-MRXNPFEDSA-N 1 1 292.386 3.338 40 0 CGABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cccs1 ZINC000019287510 368748295 /nfs/dbraw/zinc/74/82/95/368748295.db2.gz KPAFAURTLGKUNJ-ABAIWWIYSA-N 1 1 271.389 3.108 40 0 CGABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cccs1 ZINC000019287510 368748302 /nfs/dbraw/zinc/74/83/02/368748302.db2.gz KPAFAURTLGKUNJ-ABAIWWIYSA-N 1 1 271.389 3.108 40 0 CGABMO CO[C@@H](C)C[N@@H+](C)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019581458 368756714 /nfs/dbraw/zinc/75/67/14/368756714.db2.gz GSWRWCFBDUOJNU-JTQLQIEISA-N 1 1 264.344 3.082 40 0 CGABMO c1c[nH]c(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000049168970 369391044 /nfs/dbraw/zinc/39/10/44/369391044.db2.gz FILJGCYOIPHPQA-NSHDSACASA-N 1 1 284.388 3.009 40 0 biogenic,in-vitro CGABMO c1c[nH]c(C[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000049168970 369391051 /nfs/dbraw/zinc/39/10/51/369391051.db2.gz FILJGCYOIPHPQA-NSHDSACASA-N 1 1 284.388 3.009 40 0 biogenic,in-vitro CGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1 ZINC000072227467 369817980 /nfs/dbraw/zinc/81/79/80/369817980.db2.gz JGDHKPOEUXPGRX-GJZGRUSLSA-N 1 1 286.762 3.064 40 0 CGABMO CCCn1ccnc1C[N@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257212012 190012374 /nfs/dbraw/zinc/01/23/74/190012374.db2.gz CBNWDADKVKECOE-KRWDZBQOSA-N 1 1 298.434 3.285 40 0 CGABMO Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2cncs2)ccn1 ZINC000257217354 190014043 /nfs/dbraw/zinc/01/40/43/190014043.db2.gz CYPDQJUZGJJDOM-HNNXBMFYSA-N 1 1 287.432 3.444 40 0 CGABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nccc(C)n3)C2)c1 ZINC000257222103 190014618 /nfs/dbraw/zinc/01/46/18/190014618.db2.gz DRXMYHMKMRODHQ-MRXNPFEDSA-N 1 1 267.376 3.083 40 0 CGABMO CC[N@H+]1CC[C@H](C(N)(c2ccccc2)c2ccccc2)C1 ZINC000207974542 376130519 /nfs/dbraw/zinc/13/05/19/376130519.db2.gz NFPYOWPNXUFFDL-SFHVURJKSA-N 1 1 280.415 3.231 40 0 CGABMO Cc1nc(NC(C)C)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000242656665 376783448 /nfs/dbraw/zinc/78/34/48/376783448.db2.gz CSMBEFTVVREXEU-UHFFFAOYSA-N 1 1 282.391 3.168 40 0 CGABMO O[C@@H]1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]2C1 ZINC000005084612 285326255 /nfs/dbraw/zinc/32/62/55/285326255.db2.gz YZHQOLWNBFSHQZ-UHQDVWGKSA-N 1 1 296.414 3.248 40 0 CGABMO CCN(CC)c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072212853 392199216 /nfs/dbraw/zinc/19/92/16/392199216.db2.gz TYAKUJPPVOVIMR-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO C[N@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216628 392199722 /nfs/dbraw/zinc/19/97/22/392199722.db2.gz FFRHSDIQUKSPAE-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO CC(C)[N@@H+]1CCCC[C@@H]1c1cc(C(F)(F)F)n[nH]1 ZINC000072348458 392205845 /nfs/dbraw/zinc/20/58/45/392205845.db2.gz WLDSFTQJGQCCKS-SNVBAGLBSA-N 1 1 261.291 3.364 40 0 CGABMO CC(C)[N@H+]1CCCC[C@@H]1c1cc(C(F)(F)F)n[nH]1 ZINC000072348458 392205849 /nfs/dbraw/zinc/20/58/49/392205849.db2.gz WLDSFTQJGQCCKS-SNVBAGLBSA-N 1 1 261.291 3.364 40 0 CGABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)cc1 ZINC000095534142 392243966 /nfs/dbraw/zinc/24/39/66/392243966.db2.gz CQSJHQZEVHMITD-HNNXBMFYSA-N 1 1 278.359 3.137 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1C=O ZINC000020131613 171020122 /nfs/dbraw/zinc/02/01/22/171020122.db2.gz GMQXTQDCFHLWPU-OAHLLOKOSA-N 1 1 261.365 3.142 40 0 CGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000038835713 174157440 /nfs/dbraw/zinc/15/74/40/174157440.db2.gz GZGRUQRQVRDYKQ-UHFFFAOYSA-N 1 1 297.402 3.112 40 0 CGABMO CCCCCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038858959 174157749 /nfs/dbraw/zinc/15/77/49/174157749.db2.gz KXMAEFNPBMBMTL-UHFFFAOYSA-N 1 1 285.391 3.160 40 0 CGABMO CSc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000072324651 176369625 /nfs/dbraw/zinc/36/96/25/176369625.db2.gz JVJKUUUZHSHHMB-HIFRSBDPSA-N 1 1 276.449 3.077 40 0 CGABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072348579 176373861 /nfs/dbraw/zinc/37/38/61/176373861.db2.gz HNUMUWSKTGCAPK-MRXNPFEDSA-N 1 1 296.414 3.490 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccnc(Cl)c2)C1 ZINC000072363354 176377502 /nfs/dbraw/zinc/37/75/02/176377502.db2.gz SZLQZGJRPFQZEP-ZDUSSCGKSA-N 1 1 252.789 3.398 40 0 CGABMO c1cc([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000072369521 176384403 /nfs/dbraw/zinc/38/44/03/176384403.db2.gz UDFLNTZPTVBTJH-INIZCTEOSA-N 1 1 295.386 3.065 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072385002 176389493 /nfs/dbraw/zinc/38/94/93/176389493.db2.gz UJCSQJKXWNCHFT-MRXNPFEDSA-N 1 1 269.392 3.140 40 0 CGABMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)c1 ZINC000072385351 176389878 /nfs/dbraw/zinc/38/98/78/176389878.db2.gz ASNRBWKNFZZJBK-MRXNPFEDSA-N 1 1 282.391 3.094 40 0 CGABMO CC[NH+]=C1NC=N[C@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369728 276264092 /nfs/dbraw/zinc/26/40/92/276264092.db2.gz AZRJWJICOQEBLE-ZFWWWQNUSA-N 1 1 271.389 3.075 40 0 CGABMO Cc1cc(NCCC[NH3+])c2cc(Br)ccc2n1 ZINC000222687703 230398452 /nfs/dbraw/zinc/39/84/52/230398452.db2.gz OAJNFDMESZSXIL-UHFFFAOYSA-N 1 1 294.196 3.066 40 0 CGABMO CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1sccc1C)C2 ZINC000096110855 185100854 /nfs/dbraw/zinc/10/08/54/185100854.db2.gz MZJOSEJWTYLKKA-HOCLYGCPSA-N 1 1 295.448 3.217 40 0 CGABMO CO[C@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1Cc1ccccc1 ZINC000096110471 185101442 /nfs/dbraw/zinc/10/14/42/185101442.db2.gz BKKRTDWFNHLACX-WMZOPIPTSA-N 1 1 285.387 3.359 40 0 CGABMO C1CCC(O[C@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCC[C@@H]32)C1 ZINC000225718118 346305159 /nfs/dbraw/zinc/30/51/59/346305159.db2.gz RUBZSLWQDHSQAX-OWSLCNJRSA-N 1 1 292.467 3.083 40 0 CGABMO C1CCC(O[C@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCC[C@@H]32)C1 ZINC000225718118 346305160 /nfs/dbraw/zinc/30/51/60/346305160.db2.gz RUBZSLWQDHSQAX-OWSLCNJRSA-N 1 1 292.467 3.083 40 0 CGABMO C[NH+]1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000001671321 368428618 /nfs/dbraw/zinc/42/86/18/368428618.db2.gz UGRHPQGBLZANFO-UHFFFAOYSA-N 1 1 295.386 3.133 40 0 CGABMO CC(=O)OCCN1c2ccccc2Sc2c[nH+]ccc21 ZINC000001669237 368429325 /nfs/dbraw/zinc/42/93/25/368429325.db2.gz OFVSUBFHWAFLLQ-UHFFFAOYSA-N 1 1 286.356 3.247 40 0 CGABMO C[N@@H+]1CCC[C@@H](OC(=O)c2cc3ccccc3s2)C1 ZINC000001701104 368432670 /nfs/dbraw/zinc/43/26/70/368432670.db2.gz RIYPJYNEUYIPGA-GFCCVEGCSA-N 1 1 275.373 3.152 40 0 CGABMO C[N@H+]1CCC[C@@H](OC(=O)c2cc3ccccc3s2)C1 ZINC000001701104 368432677 /nfs/dbraw/zinc/43/26/77/368432677.db2.gz RIYPJYNEUYIPGA-GFCCVEGCSA-N 1 1 275.373 3.152 40 0 CGABMO CCOc1cc(C=O)ccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000015014297 368688628 /nfs/dbraw/zinc/68/86/28/368688628.db2.gz ZZKZXXSEENWWQU-AWEZNQCLSA-N 1 1 291.391 3.151 40 0 CGABMO CC(C)(C)c1ccc([C@@]23CCC[N@H+]2CCCN3)cc1 ZINC000019329210 368748209 /nfs/dbraw/zinc/74/82/09/368748209.db2.gz XJYZXMQUOREZTJ-QGZVFWFLSA-N 1 1 258.409 3.226 40 0 CGABMO C[N@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216688 369814966 /nfs/dbraw/zinc/81/49/66/369814966.db2.gz HXODAQAAIWIYFP-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212681 369815302 /nfs/dbraw/zinc/81/53/02/369815302.db2.gz HOLWNCOTOWYOMR-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO Cc1[nH+]c(N)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072218589 369815905 /nfs/dbraw/zinc/81/59/05/369815905.db2.gz GONLFTJGKXJSDX-CYBMUJFWSA-N 1 1 291.395 3.434 40 0 CGABMO Cc1cc([C@H]2CCC[N@@H+]2CC(C)C)c[nH]c1=S ZINC000072218264 369816305 /nfs/dbraw/zinc/81/63/05/369816305.db2.gz DPQCNVHLSZFYTK-CYBMUJFWSA-N 1 1 250.411 3.472 40 0 CGABMO CCC[N@@H+]1CC=C(c2nc3cc(C)ccc3[nH]2)CC1 ZINC000073636288 369863489 /nfs/dbraw/zinc/86/34/89/369863489.db2.gz PAVFASPNTOYLPN-UHFFFAOYSA-N 1 1 255.365 3.370 40 0 CGABMO CCC[N@H+]1CC=C(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000073636288 369863495 /nfs/dbraw/zinc/86/34/95/369863495.db2.gz PAVFASPNTOYLPN-UHFFFAOYSA-N 1 1 255.365 3.370 40 0 CGABMO CCC[N@@H+]1CC=C(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000073636288 369863501 /nfs/dbraw/zinc/86/35/01/369863501.db2.gz PAVFASPNTOYLPN-UHFFFAOYSA-N 1 1 255.365 3.370 40 0 CGABMO c1csc(C[N@H+]2CCN(CC3CC3)c3ncccc3C2)c1 ZINC000096060969 370203332 /nfs/dbraw/zinc/20/33/32/370203332.db2.gz ABNWGRHYLVGTTJ-UHFFFAOYSA-N 1 1 299.443 3.375 40 0 CGABMO c1csc(C[N@@H+]2CCN(CC3CC3)c3ncccc3C2)c1 ZINC000096060969 370203335 /nfs/dbraw/zinc/20/33/35/370203335.db2.gz ABNWGRHYLVGTTJ-UHFFFAOYSA-N 1 1 299.443 3.375 40 0 CGABMO CN(Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096183061 370207526 /nfs/dbraw/zinc/20/75/26/370207526.db2.gz WDQYGYKLAFGFEI-NEWSRXKRSA-N 1 1 299.462 3.024 40 0 CGABMO c1ccn(Cc2noc3c2C[N@H+](Cc2cccs2)CC3)c1 ZINC000096259759 370208110 /nfs/dbraw/zinc/20/81/10/370208110.db2.gz NHXDTDKUFPFXGE-UHFFFAOYSA-N 1 1 299.399 3.144 40 0 CGABMO c1ccn(Cc2noc3c2C[N@@H+](Cc2cccs2)CC3)c1 ZINC000096259759 370208119 /nfs/dbraw/zinc/20/81/19/370208119.db2.gz NHXDTDKUFPFXGE-UHFFFAOYSA-N 1 1 299.399 3.144 40 0 CGABMO Cc1cc(-c2cccc(C[C@H]3CC[N@H+](C(C)C)C3)n2)n[nH]1 ZINC000257207876 190012062 /nfs/dbraw/zinc/01/20/62/190012062.db2.gz BJSVGPSABNXNKO-CQSZACIVSA-N 1 1 284.407 3.053 40 0 CGABMO C[N@H+]1CC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257222077 190014990 /nfs/dbraw/zinc/01/49/90/190014990.db2.gz DRURTBDKGZKWOJ-GFCCVEGCSA-N 1 1 276.767 3.338 40 0 CGABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccccc3C)C2)n1 ZINC000257223839 190015050 /nfs/dbraw/zinc/01/50/50/190015050.db2.gz DZCYCOMBRCJQFW-MRXNPFEDSA-N 1 1 267.376 3.083 40 0 CGABMO CCOc1ccccc1C[N@H+]1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257265322 190023426 /nfs/dbraw/zinc/02/34/26/190023426.db2.gz LYEVDSRERUVALA-OAHLLOKOSA-N 1 1 285.391 3.106 40 0 CGABMO Cc1nc(-c2ccc(C[C@H]3CC[N@H+](C)C3)cn2)sc1C ZINC000257259913 190022450 /nfs/dbraw/zinc/02/24/50/190022450.db2.gz LAQNPFZZVLJAGX-CQSZACIVSA-N 1 1 287.432 3.316 40 0 CGABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000257261892 190022715 /nfs/dbraw/zinc/02/27/15/190022715.db2.gz LJFMYOLBIPAPRX-INIZCTEOSA-N 1 1 271.364 3.146 40 0 CGABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000257261892 190022716 /nfs/dbraw/zinc/02/27/16/190022716.db2.gz LJFMYOLBIPAPRX-INIZCTEOSA-N 1 1 271.364 3.146 40 0 CGABMO Cc1ccc(C[C@H]2CCC[N@H+](Cc3cscn3)C2)cn1 ZINC000257280680 190025531 /nfs/dbraw/zinc/02/55/31/190025531.db2.gz OLWKENKRXUSWNF-OAHLLOKOSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cscn3)C2)cn1 ZINC000257280680 190025532 /nfs/dbraw/zinc/02/55/32/190025532.db2.gz OLWKENKRXUSWNF-OAHLLOKOSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)c2sccn12 ZINC000257273691 190024929 /nfs/dbraw/zinc/02/49/29/190024929.db2.gz NHSOPIXBCDZTDO-CQSZACIVSA-N 1 1 298.415 3.089 40 0 CGABMO Cc1c(C[N@H+]2CCC[C@H]2CCc2ccnc(C)c2)cnn1C ZINC000257331245 190035507 /nfs/dbraw/zinc/03/55/07/190035507.db2.gz XRYPGPNFIASCJR-SFHVURJKSA-N 1 1 298.434 3.029 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(F)c1 ZINC000224957490 376289797 /nfs/dbraw/zinc/28/97/97/376289797.db2.gz PGCBWJZTMZDKQJ-MRXNPFEDSA-N 1 1 292.398 3.210 40 0 CGABMO CC[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000226724642 376371905 /nfs/dbraw/zinc/37/19/05/376371905.db2.gz RNHFVWMMSZZINT-NXHRZFHOSA-N 1 1 291.435 3.247 40 0 CGABMO C([C@H]1C[C@H]1C1CCCCC1)[N@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000242554661 376783290 /nfs/dbraw/zinc/78/32/90/376783290.db2.gz MSFDEISPJHZVBL-OWSLCNJRSA-N 1 1 276.468 3.419 40 0 CGABMO C([C@H]1C[C@H]1C1CCCCC1)N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000242554661 376783294 /nfs/dbraw/zinc/78/32/94/376783294.db2.gz MSFDEISPJHZVBL-OWSLCNJRSA-N 1 1 276.468 3.419 40 0 CGABMO COCC[C@@H]1CCOC2(C[NH+](Cc3sccc3C)C2)C1 ZINC000253598634 377701969 /nfs/dbraw/zinc/70/19/69/377701969.db2.gz FBJWXDXNYXXSLR-CQSZACIVSA-N 1 1 295.448 3.074 40 0 CGABMO Cc1nc(N)ccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218550 256708539 /nfs/dbraw/zinc/70/85/39/256708539.db2.gz LAXRCVVRRUPADS-MRXNPFEDSA-N 1 1 267.376 3.309 40 0 CGABMO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@@H+]1CCC[C@H](C)C1 ZINC000216864815 392992580 /nfs/dbraw/zinc/99/25/80/392992580.db2.gz UMVVSMBPPBPDNF-LBPRGKRZSA-N 1 1 289.423 3.408 40 0 CGABMO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@H+]1CCC[C@H](C)C1 ZINC000216864815 392992585 /nfs/dbraw/zinc/99/25/85/392992585.db2.gz UMVVSMBPPBPDNF-LBPRGKRZSA-N 1 1 289.423 3.408 40 0 CGABMO CC[C@H](OC[C@H](O)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000006355952 170195020 /nfs/dbraw/zinc/19/50/20/170195020.db2.gz RNHFVWMMSZZINT-JQHSSLGASA-N 1 1 291.435 3.247 40 0 CGABMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N)cc1Br ZINC000037460437 173223929 /nfs/dbraw/zinc/22/39/29/173223929.db2.gz RPLBNZCOMMZAMU-SNVBAGLBSA-N 1 1 283.213 3.406 40 0 CGABMO OC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203661 176341574 /nfs/dbraw/zinc/34/15/74/176341574.db2.gz GGOZZRSSUUCLFE-SNVBAGLBSA-N 1 1 274.191 3.198 40 0 CGABMO OC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203661 176341575 /nfs/dbraw/zinc/34/15/75/176341575.db2.gz GGOZZRSSUUCLFE-SNVBAGLBSA-N 1 1 274.191 3.198 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072361654 176377789 /nfs/dbraw/zinc/37/77/89/176377789.db2.gz KMRMMUJQDBSJQG-CQSZACIVSA-N 1 1 298.390 3.252 40 0 CGABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+](C)C3)n2)n1 ZINC000072375910 176385187 /nfs/dbraw/zinc/38/51/87/176385187.db2.gz WIESMBFPPKAWRE-AWEZNQCLSA-N 1 1 297.406 3.041 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)n[nH]1 ZINC000072386297 176391299 /nfs/dbraw/zinc/39/12/99/176391299.db2.gz FFHPODIKTINKRU-OAHLLOKOSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)[nH]n1 ZINC000072386297 176391300 /nfs/dbraw/zinc/39/13/00/176391300.db2.gz FFHPODIKTINKRU-OAHLLOKOSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)[nH]n1 ZINC000072386297 176391302 /nfs/dbraw/zinc/39/13/02/176391302.db2.gz FFHPODIKTINKRU-OAHLLOKOSA-N 1 1 280.375 3.271 40 0 CGABMO COc1cccc(C=O)c1OCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000217787932 262344520 /nfs/dbraw/zinc/34/45/20/262344520.db2.gz QENPFQRUWYTOOE-OKILXGFUSA-N 1 1 291.391 3.149 40 0 CGABMO c1cnc2[nH]c([C@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000049168794 275073729 /nfs/dbraw/zinc/07/37/29/275073729.db2.gz LBLHUBSYFRKPSW-LBPRGKRZSA-N 1 1 270.380 3.080 40 0 biogenic,in-vitro CGABMO C[N@H+]1CC[C@@]23CCCC[C@@H]2[C@@H]1CC1=C3CC(=O)CC1 ZINC000006480876 290188354 /nfs/dbraw/zinc/18/83/54/290188354.db2.gz CCZFGZJMYJUYAZ-PVAVHDDUSA-N 1 1 259.393 3.320 40 0 CGABMO C[N@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257252156 290317859 /nfs/dbraw/zinc/31/78/59/290317859.db2.gz JTTBAQSYDVCLKG-ZOBUZTSGSA-N 1 1 290.382 3.020 40 0 CGABMO COC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C)s1)CCO2 ZINC000096051842 185074163 /nfs/dbraw/zinc/07/41/63/185074163.db2.gz UAYOUGJOYXMCOJ-GOEBONIOSA-N 1 1 295.448 3.074 40 0 CGABMO CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096056791 185078043 /nfs/dbraw/zinc/07/80/43/185078043.db2.gz NLEXSHPMPYXTBJ-CVEARBPZSA-N 1 1 295.448 3.156 40 0 CGABMO CCCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000248107489 346373639 /nfs/dbraw/zinc/37/36/39/346373639.db2.gz PQAWTKDGLUPFGC-WBVHZDCISA-N 1 1 291.435 3.253 40 0 CGABMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000156165250 188247178 /nfs/dbraw/zinc/24/71/78/188247178.db2.gz SUADLAKCMLFWMR-OAHLLOKOSA-N 1 1 268.360 3.080 40 0 CGABMO CC[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000000079792 368284379 /nfs/dbraw/zinc/28/43/79/368284379.db2.gz NKBPLOQRMUVJTN-JJRVBVJISA-N 1 1 275.392 3.352 40 0 CGABMO CC[C@@]12CCC[N@H+]3CC[C@]4(c5cccc(O)c5N[C@@H]4CC1)[C@H]32 ZINC000001715845 368434653 /nfs/dbraw/zinc/43/46/53/368434653.db2.gz CEZHSDCDXAKXAD-NXWXRZEISA-N 1 1 298.430 3.482 40 0 CGABMO C[C@H](C[N@H+](CCN(C)C)Cc1ccncc1)c1ccccc1 ZINC000019455995 368753339 /nfs/dbraw/zinc/75/33/39/368753339.db2.gz VLMVAJJDFXPVMX-QGZVFWFLSA-N 1 1 297.446 3.249 40 0 CGABMO C[C@H](C[N@@H+](CCN(C)C)Cc1ccncc1)c1ccccc1 ZINC000019455995 368753343 /nfs/dbraw/zinc/75/33/43/368753343.db2.gz VLMVAJJDFXPVMX-QGZVFWFLSA-N 1 1 297.446 3.249 40 0 CGABMO CSc1ncc2c(n1)-c1ccccc1O[C@H]2[NH2+]C1CC1 ZINC000031872234 368920111 /nfs/dbraw/zinc/92/01/11/368920111.db2.gz ZUJJUKJZOIGEEM-CQSZACIVSA-N 1 1 285.372 3.009 40 0 CGABMO C[C@@H]([N@@H+](C)Cc1ccccc1)[C@@](C)(O)c1ccccc1 ZINC000031924770 368921544 /nfs/dbraw/zinc/92/15/44/368921544.db2.gz WZULUTBDZYYRJF-CRAIPNDOSA-N 1 1 269.388 3.415 40 0 CGABMO CC[NH+](CC)[C@H](CN)c1c(OC)ccc2ccccc21 ZINC000032048926 368923783 /nfs/dbraw/zinc/92/37/83/368923783.db2.gz JPFBOHIEDJVHJK-OAHLLOKOSA-N 1 1 272.392 3.190 40 0 CGABMO c1coc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)c1 ZINC000049169465 369391393 /nfs/dbraw/zinc/39/13/93/369391393.db2.gz SVHDBJSTWWNHLC-AWEZNQCLSA-N 1 1 295.342 3.319 40 0 biogenic,in-vitro CGABMO C[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216687 369816076 /nfs/dbraw/zinc/81/60/76/369816076.db2.gz HXODAQAAIWIYFP-OAHLLOKOSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1cccnc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000093169623 370112843 /nfs/dbraw/zinc/11/28/43/370112843.db2.gz ZHSSHWRHKGMMRX-CYBMUJFWSA-N 1 1 273.405 3.226 40 0 CGABMO CC(C)n1ccnc1C[N@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257211798 190012236 /nfs/dbraw/zinc/01/22/36/190012236.db2.gz CALJYLKETSVFGR-QGZVFWFLSA-N 1 1 298.434 3.456 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](Cc2ccnc(-c3ccnn3C)c2)C1 ZINC000257241612 190018354 /nfs/dbraw/zinc/01/83/54/190018354.db2.gz HYSKERPBETZDCL-MRXNPFEDSA-N 1 1 298.434 3.145 40 0 CGABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257241509 190018775 /nfs/dbraw/zinc/01/87/75/190018775.db2.gz HYGXVRNMHAGONW-ZDUSSCGKSA-N 1 1 280.375 3.189 40 0 CGABMO CC(C)n1nccc1-c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257289194 190027652 /nfs/dbraw/zinc/02/76/52/190027652.db2.gz PXLIAENNXNRXNG-OAHLLOKOSA-N 1 1 270.380 3.293 40 0 CGABMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000257298969 190028981 /nfs/dbraw/zinc/02/89/81/190028981.db2.gz RODCFULDJWMUPP-AWEZNQCLSA-N 1 1 259.378 3.184 40 0 CGABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1F ZINC000257329085 190034554 /nfs/dbraw/zinc/03/45/54/190034554.db2.gz XIIILYQGJRDDHV-CYBMUJFWSA-N 1 1 289.329 3.134 40 0 CGABMO CC[N@@H+](Cc1ccncc1)Cc1cccc(OC)c1 ZINC000199421714 376123569 /nfs/dbraw/zinc/12/35/69/376123569.db2.gz GCDLIEVMFZGGBW-UHFFFAOYSA-N 1 1 256.349 3.112 40 0 CGABMO Nc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212352 392197662 /nfs/dbraw/zinc/19/76/62/392197662.db2.gz JXNYSCPKXLVWAZ-HNNXBMFYSA-N 1 1 253.349 3.001 40 0 CGABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C)CC ZINC000072212782 392199110 /nfs/dbraw/zinc/19/91/10/392199110.db2.gz OBVGXDJLIUFHJE-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO Cc1nc(N)ccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218549 392200655 /nfs/dbraw/zinc/20/06/55/392200655.db2.gz LAXRCVVRRUPADS-INIZCTEOSA-N 1 1 267.376 3.309 40 0 CGABMO CC(=O)O[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)[N@@H+]2C ZINC000005519254 170107803 /nfs/dbraw/zinc/10/78/03/170107803.db2.gz VOVORVLFYOGXMX-LVQVYYBASA-N 1 1 293.794 3.222 40 0 CGABMO 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/nfs/dbraw/zinc/02/39/51/190023951.db2.gz MWNWSLMXPVAIFZ-CYBMUJFWSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)[nH]n1 ZINC000257271031 190023952 /nfs/dbraw/zinc/02/39/52/190023952.db2.gz MWNWSLMXPVAIFZ-CYBMUJFWSA-N 1 1 280.375 3.271 40 0 CGABMO Cc1ccc(Nc2nccc([C@H]3CC[N@H+](C(C)C)C3)n2)nc1 ZINC000257313179 190031891 /nfs/dbraw/zinc/03/18/91/190031891.db2.gz URHQFJLYFNKIKJ-AWEZNQCLSA-N 1 1 297.406 3.121 40 0 CGABMO O[C@@H]1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C1 ZINC000005084609 285326110 /nfs/dbraw/zinc/32/61/10/285326110.db2.gz YZHQOLWNBFSHQZ-NPSOMJIGSA-N 1 1 296.414 3.248 40 0 CGABMO CC[C@@](CO)(c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000065734691 392149968 /nfs/dbraw/zinc/14/99/68/392149968.db2.gz WVCKSRCCDDRZCQ-GOSISDBHSA-N 1 1 269.388 3.416 40 0 in-vitro CGABMO O=c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000072212245 392197113 /nfs/dbraw/zinc/19/71/13/392197113.db2.gz LAJNOAGYWCATFQ-OAHLLOKOSA-N 1 1 254.333 3.124 40 0 CGABMO 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UTVKWYMBAOILSL-UHFFFAOYSA-N 1 1 268.404 3.202 40 0 CGABMO CCCOc1ccc(Cl)cc1-c1noc([C@H](C)[NH3+])n1 ZINC000256050450 346398683 /nfs/dbraw/zinc/39/86/83/346398683.db2.gz FBBPUYUJFXPQPH-QMMMGPOBSA-N 1 1 281.743 3.199 40 0 CGABMO Oc1cccc2ccc[n+](CCc3ccccc3)c12 ZINC000001594028 368422331 /nfs/dbraw/zinc/42/23/31/368422331.db2.gz XHTGHPPCSAHMNA-UHFFFAOYSA-O 1 1 250.321 3.076 40 0 CGABMO Cc1ccc(C[NH2+]Cc2cc3ccc(C)c(C)c3[nH]c2=O)o1 ZINC000013998748 368673225 /nfs/dbraw/zinc/67/32/25/368673225.db2.gz HTYIOXXLEZCTQH-UHFFFAOYSA-N 1 1 296.370 3.336 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccncc2)no1 ZINC000019119467 368743736 /nfs/dbraw/zinc/74/37/36/368743736.db2.gz NBESNHZAMQGCCP-INIZCTEOSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccncc2)no1 ZINC000019119467 368743741 /nfs/dbraw/zinc/74/37/41/368743741.db2.gz NBESNHZAMQGCCP-INIZCTEOSA-N 1 1 271.364 3.495 40 0 CGABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1Cl ZINC000019575152 368757088 /nfs/dbraw/zinc/75/70/88/368757088.db2.gz 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/nfs/dbraw/zinc/20/70/72/370207072.db2.gz PHAQLPBOQWWQPH-OALUTQOASA-N 1 1 296.414 3.161 40 0 CGABMO C[N@H+]1CC[C@H](OCc2ccccn2)[C@@H](Cc2ccccc2)C1 ZINC000096208832 370207131 /nfs/dbraw/zinc/20/71/31/370207131.db2.gz ZMNGIFCNNGRFHK-HKUYNNGSSA-N 1 1 296.414 3.161 40 0 CGABMO CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccs1)CC2 ZINC000096217674 370208393 /nfs/dbraw/zinc/20/83/93/370208393.db2.gz TULDFJMRTSVMJD-MRXNPFEDSA-N 1 1 292.448 3.115 40 0 CGABMO c1cc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)co1 ZINC000096216629 370208882 /nfs/dbraw/zinc/20/88/82/370208882.db2.gz ZXEMTJHLKFXPOH-SFHVURJKSA-N 1 1 297.402 3.167 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccccn2)no1 ZINC000019119447 541854412 /nfs/dbraw/zinc/85/44/12/541854412.db2.gz TZQCQKLHKQRFLB-MRXNPFEDSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccccn2)no1 ZINC000019119447 541854414 /nfs/dbraw/zinc/85/44/14/541854414.db2.gz TZQCQKLHKQRFLB-MRXNPFEDSA-N 1 1 271.364 3.495 40 0 CGABMO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccc(F)s1 ZINC000256054244 190005166 /nfs/dbraw/zinc/00/51/66/190005166.db2.gz VOOARVAXFOCZMY-SNVBAGLBSA-N 1 1 267.373 3.345 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](c2cccc(-c3ccnn3C)n2)C1 ZINC000257203317 190011766 /nfs/dbraw/zinc/01/17/66/190011766.db2.gz APMGDEIIFYFDFQ-AWEZNQCLSA-N 1 1 284.407 3.070 40 0 CGABMO Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2nccs2)ccn1 ZINC000257210170 190012517 /nfs/dbraw/zinc/01/25/17/190012517.db2.gz BTNKOXOIYHYUDG-HNNXBMFYSA-N 1 1 287.432 3.444 40 0 CGABMO CCCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccncn2)c(C)n1 ZINC000257264649 190023010 /nfs/dbraw/zinc/02/30/10/190023010.db2.gz LVLBVWLEIVGJML-QGZVFWFLSA-N 1 1 299.422 3.119 40 0 CGABMO CCCCn1cc(C[N@H+]2CCC[C@@H]2c2ccncn2)c(C)n1 ZINC000257264649 190023011 /nfs/dbraw/zinc/02/30/11/190023011.db2.gz LVLBVWLEIVGJML-QGZVFWFLSA-N 1 1 299.422 3.119 40 0 CGABMO c1nc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)cs1 ZINC000257302409 190030118 /nfs/dbraw/zinc/03/01/18/190030118.db2.gz SCVUSRDXYREUDZ-OAHLLOKOSA-N 1 1 273.405 3.135 40 0 CGABMO CC[N@H+]1CC[C@@H](C(N)(c2ccccc2)c2ccccc2)C1 ZINC000221267259 376213587 /nfs/dbraw/zinc/21/35/87/376213587.db2.gz NFPYOWPNXUFFDL-GOSISDBHSA-N 1 1 280.415 3.231 40 0 CGABMO Cc1[nH+]c2cc(C)c(N)cc2n1Cc1ccccc1 ZINC000223770736 376263123 /nfs/dbraw/zinc/26/31/23/376263123.db2.gz HDVAOORATHARPI-UHFFFAOYSA-N 1 1 251.333 3.284 40 0 CGABMO CSc1ncc(C[NH2+]Cc2ccccc2Cl)cn1 ZINC000062717205 392133831 /nfs/dbraw/zinc/13/38/31/392133831.db2.gz FELCTIODQPURIX-UHFFFAOYSA-N 1 1 279.796 3.142 40 0 CGABMO C[N@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212004 392197518 /nfs/dbraw/zinc/19/75/18/392197518.db2.gz VHQKLEXLXFXILK-MRXNPFEDSA-N 1 1 268.360 3.427 40 0 CGABMO Nc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212407 392197682 /nfs/dbraw/zinc/19/76/82/392197682.db2.gz DEQOKLHMLXXKIK-OAHLLOKOSA-N 1 1 253.349 3.001 40 0 CGABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(C)C)c[nH]c1=S ZINC000072218263 392200585 /nfs/dbraw/zinc/20/05/85/392200585.db2.gz DPQCNVHLSZFYTK-ZDUSSCGKSA-N 1 1 250.411 3.472 40 0 CGABMO Cc1c[nH]c([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000257322720 393135928 /nfs/dbraw/zinc/13/59/28/393135928.db2.gz WHBPUFFQYPDWHQ-HNNXBMFYSA-N 1 1 289.354 3.073 40 0 CGABMO Cc1c[nH]c([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000257322720 393135932 /nfs/dbraw/zinc/13/59/32/393135932.db2.gz WHBPUFFQYPDWHQ-HNNXBMFYSA-N 1 1 289.354 3.073 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000257267111 393136063 /nfs/dbraw/zinc/13/60/63/393136063.db2.gz MGACSVYWLVNFTB-OAHLLOKOSA-N 1 1 270.380 3.149 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1ncccc1C ZINC000257267111 393136069 /nfs/dbraw/zinc/13/60/69/393136069.db2.gz MGACSVYWLVNFTB-OAHLLOKOSA-N 1 1 270.380 3.149 40 0 CGABMO CC[N@@H+](C[C@@H](O)COc1ccccc1F)C1CCCCC1 ZINC000006438588 170201354 /nfs/dbraw/zinc/20/13/54/170201354.db2.gz YQXPOVUFLYDKQQ-OAHLLOKOSA-N 1 1 295.398 3.220 40 0 CGABMO CCOCC[NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000035182983 172037003 /nfs/dbraw/zinc/03/70/03/172037003.db2.gz VKWBAOCJZWLZJU-QGZVFWFLSA-N 1 1 283.371 3.237 40 0 CGABMO C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccccc3)n2)C1 ZINC000072359253 176377129 /nfs/dbraw/zinc/37/71/29/176377129.db2.gz JGKOJKUOHIWISJ-AWEZNQCLSA-N 1 1 295.386 3.143 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1CCc1cc(-c2cccnc2)ncn1 ZINC000072365142 176379978 /nfs/dbraw/zinc/37/99/78/176379978.db2.gz SYSYMNKTHFGBKE-KRWDZBQOSA-N 1 1 296.418 3.344 40 0 CGABMO Fc1cccc(F)c1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072369374 176384290 /nfs/dbraw/zinc/38/42/90/176384290.db2.gz IHGOKCKIXLODJZ-LBPRGKRZSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1cccc(F)c1C[N@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072369374 176384292 /nfs/dbraw/zinc/38/42/92/176384292.db2.gz IHGOKCKIXLODJZ-LBPRGKRZSA-N 1 1 289.329 3.134 40 0 CGABMO COc1ccccc1C[N@@H+]1CCCC[C@H]1c1ccncn1 ZINC000072385090 176389243 /nfs/dbraw/zinc/38/92/43/176389243.db2.gz MBVQDKCDAFGVSN-INIZCTEOSA-N 1 1 283.375 3.212 40 0 CGABMO COc1ccccc1C[N@H+]1CCCC[C@H]1c1ccncn1 ZINC000072385090 176389245 /nfs/dbraw/zinc/38/92/45/176389245.db2.gz MBVQDKCDAFGVSN-INIZCTEOSA-N 1 1 283.375 3.212 40 0 CGABMO CC(C)Nc1nc(N2CCc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000328977318 136377406 /nfs/dbraw/zinc/37/74/06/136377406.db2.gz FTEKHWAUYIQZCN-ZDUSSCGKSA-N 1 1 282.391 3.421 40 0 CGABMO C[C@@H]1C[C@](O)(Cc2cccc3ccccc32)[C@H](C)C[N@H+]1C ZINC000004474222 344860254 /nfs/dbraw/zinc/86/02/54/344860254.db2.gz NVBSQIZIZBOTAX-CLCXKQKWSA-N 1 1 283.415 3.474 40 0 CGABMO CC(C)C[N@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099686 346724530 /nfs/dbraw/zinc/72/45/30/346724530.db2.gz XRMHCENIZJIEPY-SFHVURJKSA-N 1 1 292.467 3.147 40 0 CGABMO CC[NH+](CC)CC[C@@H]1Cn2cccc2CN(C2CCC2)C1 ZINC000585095566 346724628 /nfs/dbraw/zinc/72/46/28/346724628.db2.gz XRRJAMGSSWTPPT-MRXNPFEDSA-N 1 1 289.467 3.204 40 0 CGABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000585181422 346725696 /nfs/dbraw/zinc/72/56/96/346725696.db2.gz DQXCGGHHHOBFNX-HNNXBMFYSA-N 1 1 280.375 3.189 40 0 CGABMO Cc1nc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cs1 ZINC000120592232 370784277 /nfs/dbraw/zinc/78/42/77/370784277.db2.gz UJIYMULOXZRMMR-LLVKDONJSA-N 1 1 279.434 3.288 40 0 CGABMO Cc1nc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cs1 ZINC000120592232 370784282 /nfs/dbraw/zinc/78/42/82/370784282.db2.gz UJIYMULOXZRMMR-LLVKDONJSA-N 1 1 279.434 3.288 40 0 CGABMO CCOC(=O)c1[nH]c(C)c(/C=C/C2=CC[N@@H+](C)CC2)c1C ZINC000012143036 368605074 /nfs/dbraw/zinc/60/50/74/368605074.db2.gz FMKWKLBVLYAYNW-VOTSOKGWSA-N 1 1 288.391 3.083 40 0 CGABMO C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH+](C2CCCCC2)CC1 ZINC000019790061 368767429 /nfs/dbraw/zinc/76/74/29/368767429.db2.gz DIIFCJPVJUHLRT-IKGGRYGDSA-N 1 1 274.452 3.149 40 0 CGABMO CC(C)c1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000027932549 368878041 /nfs/dbraw/zinc/87/80/41/368878041.db2.gz USRTXBVXDNGOSD-INIZCTEOSA-N 1 1 287.407 3.122 40 0 CGABMO COc1ccc(CNc2cccc(C)[nH+]2)cc1OC ZINC000037670729 369099215 /nfs/dbraw/zinc/09/92/15/369099215.db2.gz NXQXSOQPADIWFZ-UHFFFAOYSA-N 1 1 258.321 3.019 40 0 CGABMO CCOc1ccc(Nc2cc(N)nc(C3CC3)[nH+]2)cc1 ZINC000049467630 369402766 /nfs/dbraw/zinc/40/27/66/369402766.db2.gz HUFBPULQAREDQW-UHFFFAOYSA-N 1 1 270.336 3.079 40 0 CGABMO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000049750864 369415268 /nfs/dbraw/zinc/41/52/68/369415268.db2.gz BQAILLXPFQMCTH-NSHDSACASA-N 1 1 274.191 3.340 40 0 CGABMO OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000049750864 369415273 /nfs/dbraw/zinc/41/52/73/369415273.db2.gz BQAILLXPFQMCTH-NSHDSACASA-N 1 1 274.191 3.340 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000067801170 369730568 /nfs/dbraw/zinc/73/05/68/369730568.db2.gz VWLSSVHMGGWIDG-OAHLLOKOSA-N 1 1 290.407 3.094 40 0 CGABMO C[N@@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211623 369816265 /nfs/dbraw/zinc/81/62/65/369816265.db2.gz KPKKVRIZBXQDER-SNVBAGLBSA-N 1 1 255.159 3.001 40 0 CGABMO C[N@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211623 369816269 /nfs/dbraw/zinc/81/62/69/369816269.db2.gz KPKKVRIZBXQDER-SNVBAGLBSA-N 1 1 255.159 3.001 40 0 CGABMO CCOc1cc(C[N@H+]2CC[C@H](CC)C2)ccc1OC ZINC000091929651 370081123 /nfs/dbraw/zinc/08/11/23/370081123.db2.gz ADABDHPILACLIK-ZDUSSCGKSA-N 1 1 263.381 3.326 40 0 CGABMO CCCOc1c(C)cc(-c2noc([C@H](C)[NH3+])n2)cc1C ZINC000095095347 370175338 /nfs/dbraw/zinc/17/53/38/370175338.db2.gz RPZDBSUSNHHDHI-NSHDSACASA-N 1 1 275.352 3.162 40 0 CGABMO C[N@H+]1CC[C@H](OCc2cccnc2)[C@@H](Cc2ccccc2)C1 ZINC000096218554 370208969 /nfs/dbraw/zinc/20/89/69/370208969.db2.gz OAHSFYABROSXNM-OALUTQOASA-N 1 1 296.414 3.161 40 0 CGABMO C[C@H]1Cc2ccccc2CN1c1cc[nH+]c(NC2CC2)n1 ZINC000328984044 374398548 /nfs/dbraw/zinc/39/85/48/374398548.db2.gz HKAXXHCNQNAALZ-LBPRGKRZSA-N 1 1 280.375 3.002 40 0 CGABMO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)n1 ZINC000257202581 190010827 /nfs/dbraw/zinc/01/08/27/190010827.db2.gz AMLXQECEJMXOLM-CYBMUJFWSA-N 1 1 289.329 3.053 40 0 CGABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)n1 ZINC000257202581 190010828 /nfs/dbraw/zinc/01/08/28/190010828.db2.gz AMLXQECEJMXOLM-CYBMUJFWSA-N 1 1 289.329 3.053 40 0 CGABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000257202134 190010967 /nfs/dbraw/zinc/01/09/67/190010967.db2.gz AKQDPKYZXBLFPV-CYBMUJFWSA-N 1 1 273.405 3.226 40 0 CGABMO Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257199881 190011127 /nfs/dbraw/zinc/01/11/27/190011127.db2.gz ABDGOCGSOSHZQG-GFCCVEGCSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1cccc(F)c1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257199881 190011128 /nfs/dbraw/zinc/01/11/28/190011128.db2.gz ABDGOCGSOSHZQG-GFCCVEGCSA-N 1 1 289.329 3.134 40 0 CGABMO Cc1cn(C)c([C@@H]2CC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000257245999 190019107 /nfs/dbraw/zinc/01/91/07/190019107.db2.gz ISAFHLLNQZGDKX-QGZVFWFLSA-N 1 1 283.419 3.151 40 0 CGABMO C[N@H+]1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257285610 190027142 /nfs/dbraw/zinc/02/71/42/190027142.db2.gz PHYJMFMVFXFBBZ-ZDUSSCGKSA-N 1 1 274.339 3.214 40 0 CGABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000257288957 190027517 /nfs/dbraw/zinc/02/75/17/190027517.db2.gz PWKPWUJUQXHBHR-CYBMUJFWSA-N 1 1 275.421 3.088 40 0 CGABMO Cc1csc(-c2cc(C)nc([C@H]3CCCC[N@H+]3C)n2)n1 ZINC000257337731 190036327 /nfs/dbraw/zinc/03/63/27/190036327.db2.gz YUDDRGSYLDDANE-CYBMUJFWSA-N 1 1 288.420 3.374 40 0 CGABMO Cc1csc(-c2cc(C)nc([C@H]3CCCC[N@@H+]3C)n2)n1 ZINC000257337731 190036328 /nfs/dbraw/zinc/03/63/28/190036328.db2.gz YUDDRGSYLDDANE-CYBMUJFWSA-N 1 1 288.420 3.374 40 0 CGABMO CC[NH+]1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 ZINC000226245484 376347042 /nfs/dbraw/zinc/34/70/42/376347042.db2.gz DNTATMMWBZNJSM-UHFFFAOYSA-N 1 1 289.810 3.273 40 0 CGABMO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H]2CCCC[C@H]21 ZINC000229908291 376478298 /nfs/dbraw/zinc/47/82/98/376478298.db2.gz TYRBZUUHADCCGQ-KURKYZTESA-N 1 1 287.403 3.339 40 0 CGABMO Nc1ccccc1OC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000575423920 377908127 /nfs/dbraw/zinc/90/81/27/377908127.db2.gz TWPXBBQZWWSGGZ-MRXNPFEDSA-N 1 1 282.387 3.312 40 0 CGABMO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(Br)nc1 ZINC000072211552 392197581 /nfs/dbraw/zinc/19/75/81/392197581.db2.gz SVGVGIYBZDOYRX-LLVKDONJSA-N 1 1 269.186 3.389 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(Br)nc1 ZINC000072211552 392197584 /nfs/dbraw/zinc/19/75/84/392197584.db2.gz SVGVGIYBZDOYRX-LLVKDONJSA-N 1 1 269.186 3.389 40 0 CGABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(CC)CC)nc1 ZINC000072212837 392198777 /nfs/dbraw/zinc/19/87/77/392198777.db2.gz QDCGDGAFWLTSGF-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO CC1=C[C@H]2[C@@H](C[C@@H]1COC(=O)C[NH+]1CCCCC1)C2(C)C ZINC000005015373 170055799 /nfs/dbraw/zinc/05/57/99/170055799.db2.gz FMQARPSTZNNDJH-OWCLPIDISA-N 1 1 291.435 3.254 40 0 CGABMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000005186729 170075009 /nfs/dbraw/zinc/07/50/09/170075009.db2.gz CLXJBSWMGNPNLE-IXDOHACOSA-N 1 1 291.435 3.306 40 0 CGABMO CCCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000006324986 170191474 /nfs/dbraw/zinc/19/14/74/170191474.db2.gz PQAWTKDGLUPFGC-RDJZCZTQSA-N 1 1 291.435 3.253 40 0 CGABMO CCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020480929 171222014 /nfs/dbraw/zinc/22/20/14/171222014.db2.gz 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Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)o1 ZINC000096058311 185079038 /nfs/dbraw/zinc/07/90/38/185079038.db2.gz PKYYTONHDFTADR-FHWLQOOXSA-N 1 1 296.414 3.420 40 0 CGABMO Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)o1 ZINC000096058311 185079040 /nfs/dbraw/zinc/07/90/40/185079040.db2.gz PKYYTONHDFTADR-FHWLQOOXSA-N 1 1 296.414 3.420 40 0 CGABMO C[C@@H]1C[C@@](O)(Cc2cccc3ccccc32)[C@H](C)C[N@H+]1C ZINC000004474224 344860227 /nfs/dbraw/zinc/86/02/27/344860227.db2.gz NVBSQIZIZBOTAX-SPYBWZPUSA-N 1 1 283.415 3.474 40 0 CGABMO C[N@H+]1CC[C@H]2[C@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000584578362 346684127 /nfs/dbraw/zinc/68/41/27/346684127.db2.gz OFPJOWXBDHSDOQ-MJGOQNOKSA-N 1 1 278.399 3.495 40 0 CGABMO CCC[N@H+]1CCCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218699 283322240 /nfs/dbraw/zinc/32/22/40/283322240.db2.gz KJZLPTJXGMBIKV-HNNXBMFYSA-N 1 1 261.413 3.393 40 0 CGABMO Cc1cccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000001668123 368428960 /nfs/dbraw/zinc/42/89/60/368428960.db2.gz NNOXTUJBIZGNDQ-UHFFFAOYSA-N 1 1 297.402 3.249 40 0 CGABMO C[N@@H+]1CC=C(/C=C/c2ccc(Sc3ncccn3)o2)CC1 ZINC000012154295 368605327 /nfs/dbraw/zinc/60/53/27/368605327.db2.gz OJARZUJTTMNBCS-ONEGZZNKSA-N 1 1 299.399 3.496 40 0 CGABMO Cc1ccccc1C[N@@H+](CCO)Cc1cccs1 ZINC000013997393 368672469 /nfs/dbraw/zinc/67/24/69/368672469.db2.gz IVXQBGSRBLWMOP-UHFFFAOYSA-N 1 1 261.390 3.051 40 0 CGABMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000024718098 368834208 /nfs/dbraw/zinc/83/42/08/368834208.db2.gz KLNGFIBGXXNTLD-YOEHRIQHSA-N 1 1 255.361 3.241 40 0 CGABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215926 369815725 /nfs/dbraw/zinc/81/57/25/369815725.db2.gz XOEXRWPHRNEPHD-INIZCTEOSA-N 1 1 273.424 3.475 40 0 CGABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218686 369815800 /nfs/dbraw/zinc/81/58/00/369815800.db2.gz RFGUTEPEQPDFGW-HNNXBMFYSA-N 1 1 261.413 3.393 40 0 CGABMO Fc1ccc(C[NH2+]Cc2ccnn2C2CCCC2)s1 ZINC000256053931 190005114 /nfs/dbraw/zinc/00/51/14/190005114.db2.gz UEXYCGSVHPVBPU-UHFFFAOYSA-N 1 1 279.384 3.489 40 0 CGABMO Cc1cc(CC[C@H]2CCC[N@H+]2Cc2nccs2)ccn1 ZINC000257210171 190012396 /nfs/dbraw/zinc/01/23/96/190012396.db2.gz BTNKOXOIYHYUDG-OAHLLOKOSA-N 1 1 287.432 3.444 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1scnc1C ZINC000257253146 190020596 /nfs/dbraw/zinc/02/05/96/190020596.db2.gz JXSVUVUCAFQNSB-LBPRGKRZSA-N 1 1 276.409 3.210 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1scnc1C ZINC000257253146 190020597 /nfs/dbraw/zinc/02/05/97/190020597.db2.gz JXSVUVUCAFQNSB-LBPRGKRZSA-N 1 1 276.409 3.210 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257241508 190018920 /nfs/dbraw/zinc/01/89/20/190018920.db2.gz HYGXVRNMHAGONW-CYBMUJFWSA-N 1 1 280.375 3.189 40 0 CGABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cccc(C)n2)ccn1 ZINC000257282968 190026582 /nfs/dbraw/zinc/02/65/82/190026582.db2.gz OWCDVFIREMKEND-INIZCTEOSA-N 1 1 282.391 3.164 40 0 CGABMO Cc1ccsc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC000257273105 190025125 /nfs/dbraw/zinc/02/51/25/190025125.db2.gz NFHHZZCZMDPTLL-ZDUSSCGKSA-N 1 1 259.378 3.184 40 0 CGABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257293207 190028598 /nfs/dbraw/zinc/02/85/98/190028598.db2.gz QOOCJXAJCUQIQV-CYBMUJFWSA-N 1 1 280.375 3.189 40 0 CGABMO CC(C)n1nccc1-c1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000257295944 190028693 /nfs/dbraw/zinc/02/86/93/190028693.db2.gz RANYDLIQHBOCMF-HNNXBMFYSA-N 1 1 270.380 3.293 40 0 CGABMO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)s1 ZINC000257305537 190031169 /nfs/dbraw/zinc/03/11/69/190031169.db2.gz SQMHFJOEPQPRQD-HNNXBMFYSA-N 1 1 274.389 3.025 40 0 CGABMO Cc1ccc(C[N@H+]2CCO[C@H](c3ccccn3)C2)s1 ZINC000257305537 190031170 /nfs/dbraw/zinc/03/11/70/190031170.db2.gz SQMHFJOEPQPRQD-HNNXBMFYSA-N 1 1 274.389 3.025 40 0 CGABMO Fc1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1F ZINC000257329086 190035108 /nfs/dbraw/zinc/03/51/08/190035108.db2.gz XIIILYQGJRDDHV-ZDUSSCGKSA-N 1 1 289.329 3.134 40 0 CGABMO OC[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCCC1 ZINC000070452968 285272273 /nfs/dbraw/zinc/27/22/73/285272273.db2.gz OJELHPRMSCADBY-LBPRGKRZSA-N 1 1 260.164 3.123 40 0 CGABMO CC[N@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216094 285289463 /nfs/dbraw/zinc/28/94/63/285289463.db2.gz LDIARBLEWKFEPN-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@@H+]2CC=CCC2)c1 ZINC000001668971 391913644 /nfs/dbraw/zinc/91/36/44/391913644.db2.gz DOMNTPJHPATAFO-INIZCTEOSA-N 1 1 289.419 3.120 40 0 CGABMO Cc1cc(N2CCCCC2)ncc1[C@H]1CCC[N@@H+]1C ZINC000072219206 392200462 /nfs/dbraw/zinc/20/04/62/392200462.db2.gz DXOIDGIHFXEZEH-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc(N)ncc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218489 392200514 /nfs/dbraw/zinc/20/05/14/392200514.db2.gz CSLVOZBAPRHDDP-INIZCTEOSA-N 1 1 267.376 3.309 40 0 CGABMO Cc1cc(N(C)Cc2ccccc2)[nH+]cc1[C@@H](C)O ZINC000072223395 392203216 /nfs/dbraw/zinc/20/32/16/392203216.db2.gz NQWFTHRIWYUVEN-CYBMUJFWSA-N 1 1 256.349 3.080 40 0 CGABMO Cc1cccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)n1 ZINC000005066048 170063005 /nfs/dbraw/zinc/06/30/05/170063005.db2.gz YEMUBAQBXKWJSW-UHFFFAOYSA-N 1 1 295.430 3.144 40 0 CGABMO C[N@@H+](CCc1cn[nH]c1)Cc1ccc(OC2CCCC2)cc1 ZINC000013995609 170614954 /nfs/dbraw/zinc/61/49/54/170614954.db2.gz DILAFVPDBGMBTC-UHFFFAOYSA-N 1 1 299.418 3.406 40 0 CGABMO Cc1ccc2oc([C@H]3CC[N@H+](C4CCOCC4)C3)nc2c1 ZINC000035446510 172203387 /nfs/dbraw/zinc/20/33/87/172203387.db2.gz UHLOQOKGSHLAPN-ZDUSSCGKSA-N 1 1 286.375 3.105 40 0 biogenic,in-vitro CGABMO CC(C)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044790061 175254306 /nfs/dbraw/zinc/25/43/06/175254306.db2.gz ZZIAJJRTNHCODW-QGZVFWFLSA-N 1 1 288.435 3.061 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n[nH]1 ZINC000121287131 275064810 /nfs/dbraw/zinc/06/48/10/275064810.db2.gz RVADREYUHVBPND-AWEZNQCLSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)[nH]n1 ZINC000121287131 275064811 /nfs/dbraw/zinc/06/48/11/275064811.db2.gz RVADREYUHVBPND-AWEZNQCLSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)[nH]n1 ZINC000121287131 275064813 /nfs/dbraw/zinc/06/48/13/275064813.db2.gz RVADREYUHVBPND-AWEZNQCLSA-N 1 1 280.375 3.271 40 0 CGABMO CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccsc1)C2 ZINC000096039314 185069539 /nfs/dbraw/zinc/06/95/39/185069539.db2.gz LAAKIQNSRBQHRA-CVEARBPZSA-N 1 1 295.448 3.156 40 0 CGABMO C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102298 346724710 /nfs/dbraw/zinc/72/47/10/346724710.db2.gz WOFPUJNGCOCGQE-LJQANCHMSA-N 1 1 294.398 3.150 40 0 CGABMO CC(C)Oc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013804037 368667377 /nfs/dbraw/zinc/66/73/77/368667377.db2.gz HRLJEQMOQMTHFP-DAYGRLMNSA-N 1 1 290.451 3.292 40 0 CGABMO CC(C)Oc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013804037 368667384 /nfs/dbraw/zinc/66/73/84/368667384.db2.gz HRLJEQMOQMTHFP-DAYGRLMNSA-N 1 1 290.451 3.292 40 0 CGABMO CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000013804037 368667388 /nfs/dbraw/zinc/66/73/88/368667388.db2.gz HRLJEQMOQMTHFP-DAYGRLMNSA-N 1 1 290.451 3.292 40 0 CGABMO CC[N@@H+](C[C@@H](O)COc1ccccc1C)C1CCCCC1 ZINC000016758593 368721465 /nfs/dbraw/zinc/72/14/65/368721465.db2.gz JZFIWEOJQARWKY-QGZVFWFLSA-N 1 1 291.435 3.389 40 0 CGABMO CO[C@@H]1CCCC[C@H]1OC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000017703791 368733675 /nfs/dbraw/zinc/73/36/75/368733675.db2.gz OZYVLMYWJFRCQM-HZPDHXFCSA-N 1 1 297.439 3.142 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cccn2C)no1 ZINC000019119453 368744651 /nfs/dbraw/zinc/74/46/51/368744651.db2.gz PXWCNRRXFLGXPU-MRXNPFEDSA-N 1 1 273.380 3.439 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccn2C)no1 ZINC000019119453 368744658 /nfs/dbraw/zinc/74/46/58/368744658.db2.gz PXWCNRRXFLGXPU-MRXNPFEDSA-N 1 1 273.380 3.439 40 0 CGABMO c1c2cccnc2[nH]c1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019346915 368748935 /nfs/dbraw/zinc/74/89/35/368748935.db2.gz HZSACAQHSUAIAE-MRXNPFEDSA-N 1 1 292.386 3.338 40 0 CGABMO Fc1ccc2[nH]c([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000035446596 369002653 /nfs/dbraw/zinc/00/26/53/369002653.db2.gz YVTGQHMXISXVDB-JTQLQIEISA-N 1 1 259.328 3.044 40 0 biogenic,in-vitro CGABMO Fc1ccc2nc([C@H]3CC[N@@H+](C4CCC4)C3)[nH]c2c1 ZINC000035446596 369002661 /nfs/dbraw/zinc/00/26/61/369002661.db2.gz YVTGQHMXISXVDB-JTQLQIEISA-N 1 1 259.328 3.044 40 0 biogenic,in-vitro CGABMO Fc1ccc2nc([C@H]3CC[N@H+](C4CCC4)C3)[nH]c2c1 ZINC000035446596 369002667 /nfs/dbraw/zinc/00/26/67/369002667.db2.gz YVTGQHMXISXVDB-JTQLQIEISA-N 1 1 259.328 3.044 40 0 biogenic,in-vitro CGABMO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000046960057 369301207 /nfs/dbraw/zinc/30/12/07/369301207.db2.gz WGYNEWDWBQAFCM-CQSZACIVSA-N 1 1 288.435 3.155 40 0 CGABMO c1coc(-c2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)c1 ZINC000049169478 369390851 /nfs/dbraw/zinc/39/08/51/369390851.db2.gz QTLJMKUDPZISHE-LBPRGKRZSA-N 1 1 287.363 3.452 40 0 biogenic,in-vitro CGABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(C(C)(C)C)o3)C2)o1 ZINC000049170645 369390985 /nfs/dbraw/zinc/39/09/85/369390985.db2.gz GXKHJLUEQTVRAZ-LBPRGKRZSA-N 1 1 289.379 3.258 40 0 biogenic,in-vitro CGABMO COc1cc(CNc2cc(C)cc[nH+]2)cc(OC)c1 ZINC000083430454 370005258 /nfs/dbraw/zinc/00/52/58/370005258.db2.gz AHSPXGNTFGVWCR-UHFFFAOYSA-N 1 1 258.321 3.019 40 0 CGABMO Cc1cc(Nc2ccc(F)c(C(F)(F)F)c2)nc(N)[nH+]1 ZINC000129910668 371005452 /nfs/dbraw/zinc/00/54/52/371005452.db2.gz WWZFJQDENNNBON-UHFFFAOYSA-N 1 1 286.232 3.269 40 0 CGABMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)[nH]1 ZINC000331331661 374522160 /nfs/dbraw/zinc/52/21/60/374522160.db2.gz HRLWGKVADSKRBZ-NWDGAFQWSA-N 1 1 258.369 3.142 40 0 CGABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257200966 190010632 /nfs/dbraw/zinc/01/06/32/190010632.db2.gz AFNZXEDPAGBDKG-CQSZACIVSA-N 1 1 280.375 3.189 40 0 CGABMO CNc1ncccc1C[N@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257233966 190016695 /nfs/dbraw/zinc/01/66/95/190016695.db2.gz GRNMOMBULFGJCG-KRWDZBQOSA-N 1 1 296.418 3.116 40 0 CGABMO CC(C)n1nccc1-c1cc(C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000257256301 190021697 /nfs/dbraw/zinc/02/16/97/190021697.db2.gz KKWJFANHRBKTNY-OAHLLOKOSA-N 1 1 284.407 3.020 40 0 CGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000257318145 190032792 /nfs/dbraw/zinc/03/27/92/190032792.db2.gz VMRMFPPMOFTHDU-AWEZNQCLSA-N 1 1 287.794 3.428 40 0 CGABMO c1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)nc1 ZINC000257333848 190035320 /nfs/dbraw/zinc/03/53/20/190035320.db2.gz YDIXZXDYQQOEKS-QGZVFWFLSA-N 1 1 267.376 3.074 40 0 CGABMO C[N@@H+]1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257342709 190037587 /nfs/dbraw/zinc/03/75/87/190037587.db2.gz ZPVFJGWDELRNEG-AWEZNQCLSA-N 1 1 260.312 3.171 40 0 CGABMO C[N@H+]1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257342709 190037588 /nfs/dbraw/zinc/03/75/88/190037588.db2.gz ZPVFJGWDELRNEG-AWEZNQCLSA-N 1 1 260.312 3.171 40 0 CGABMO CCC(=O)Nc1cc([N@@H+]2CCC[C@H](C)C2)c(C)cc1N ZINC000216864751 376168629 /nfs/dbraw/zinc/16/86/29/376168629.db2.gz SEEBRIYDRYXJAW-NSHDSACASA-N 1 1 275.396 3.162 40 0 CGABMO CCC(=O)Nc1cc([N@H+]2CCC[C@H](C)C2)c(C)cc1N ZINC000216864751 376168633 /nfs/dbraw/zinc/16/86/33/376168633.db2.gz SEEBRIYDRYXJAW-NSHDSACASA-N 1 1 275.396 3.162 40 0 CGABMO Cc1ccc(-c2nnc([C@H]3CC[N@H+](C(C)C)C3)o2)cc1 ZINC000049169964 392037824 /nfs/dbraw/zinc/03/78/24/392037824.db2.gz RBAUKXCROXYBDZ-AWEZNQCLSA-N 1 1 271.364 3.243 40 0 biogenic,in-vitro CGABMO Cc1nc(N(C)C)ccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218743 392200402 /nfs/dbraw/zinc/20/04/02/392200402.db2.gz CEFLFJHFGLFQSJ-HNNXBMFYSA-N 1 1 261.413 3.249 40 0 CGABMO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082323566 392222943 /nfs/dbraw/zinc/22/29/43/392222943.db2.gz MQNJQZYNBLURAB-CYBMUJFWSA-N 1 1 260.381 3.090 40 0 CGABMO CC(C)CC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257266659 393135994 /nfs/dbraw/zinc/13/59/94/393135994.db2.gz MDYLFQRKEKXAKT-IAGOWNOFSA-N 1 1 292.467 3.288 40 0 CGABMO C[NH2+]CCCNCc1ccc(OCc2cccs2)cc1 ZINC000007524048 170288842 /nfs/dbraw/zinc/28/88/42/170288842.db2.gz ZYCOWBKUVZJGTK-UHFFFAOYSA-N 1 1 290.432 3.026 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCOc1ccc(C=O)cc1 ZINC000020131540 171020250 /nfs/dbraw/zinc/02/02/50/171020250.db2.gz RAPRUKAIXIUSDA-OAHLLOKOSA-N 1 1 261.365 3.142 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCOc1ccc(C=O)cc1OC ZINC000020131561 171020268 /nfs/dbraw/zinc/02/02/68/171020268.db2.gz NJGDWSPTZNZAOS-OAHLLOKOSA-N 1 1 291.391 3.151 40 0 CGABMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038859245 174158366 /nfs/dbraw/zinc/15/83/66/174158366.db2.gz XTPOZRGMFGQZBX-NVXWUHKLSA-N 1 1 288.435 3.203 40 0 CGABMO CCOC(=O)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000038879634 174158865 /nfs/dbraw/zinc/15/88/65/174158865.db2.gz NGMZCGXHFZXPNM-ALOPSCKCSA-N 1 1 287.403 3.383 40 0 CGABMO C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000023480220 275393435 /nfs/dbraw/zinc/39/34/35/275393435.db2.gz QHYOXODERCRGTD-TVFCKZIOSA-N 1 1 276.468 3.230 40 0 CGABMO C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000023480220 275393436 /nfs/dbraw/zinc/39/34/36/275393436.db2.gz QHYOXODERCRGTD-TVFCKZIOSA-N 1 1 276.468 3.230 40 0 CGABMO C[N@@H+]1CCC(c2ccccc2)=C(Br)C1 ZINC000031960946 277035099 /nfs/dbraw/zinc/03/50/99/277035099.db2.gz XSZWETIRCXXFGL-UHFFFAOYSA-N 1 1 252.155 3.128 40 0 CGABMO C[N@H+]1CCC(c2ccccc2)=C(Br)C1 ZINC000031960946 277035102 /nfs/dbraw/zinc/03/51/02/277035102.db2.gz XSZWETIRCXXFGL-UHFFFAOYSA-N 1 1 252.155 3.128 40 0 CGABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216116 277045403 /nfs/dbraw/zinc/04/54/03/277045403.db2.gz JWFXCMCTMMMFFT-OAHLLOKOSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2Cl)c1 ZINC000072227422 281223514 /nfs/dbraw/zinc/22/35/14/281223514.db2.gz GESSSQOIMVUDOF-LSDHHAIUSA-N 1 1 286.762 3.064 40 0 CGABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000072228042 281421830 /nfs/dbraw/zinc/42/18/30/281421830.db2.gz WCFWNGQDFGHDJH-ZWKOTPCHSA-N 1 1 294.398 3.227 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)NC1CCCCC1 ZINC000225756796 567955130 /nfs/dbraw/zinc/95/51/30/567955130.db2.gz GFJKZIOTIAXNQX-INIZCTEOSA-N 1 1 295.471 3.273 40 0 CGABMO Cc1ccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)o1 ZINC000096049297 185072326 /nfs/dbraw/zinc/07/23/26/185072326.db2.gz FGZMUAVSNPCWAA-UHFFFAOYSA-N 1 1 288.435 3.428 40 0 CGABMO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2ccc(C)o2)C1 ZINC000585094654 346724556 /nfs/dbraw/zinc/72/45/56/346724556.db2.gz NGQJLOZRLFGLAV-OAHLLOKOSA-N 1 1 288.391 3.058 40 0 CGABMO CCC[N@H+]1CCCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218638 283321486 /nfs/dbraw/zinc/32/14/86/283321486.db2.gz SARUFQROCWEPON-OAHLLOKOSA-N 1 1 261.413 3.393 40 0 CGABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(F)c1 ZINC000120209996 370748582 /nfs/dbraw/zinc/74/85/82/370748582.db2.gz NQLRAUXKDLGZMM-GFCCVEGCSA-N 1 1 277.318 3.068 40 0 CGABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cccc(F)c1 ZINC000019287493 368748588 /nfs/dbraw/zinc/74/85/88/368748588.db2.gz PQZMOCCURNGKKC-PBHICJAKSA-N 1 1 283.350 3.186 40 0 CGABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cccc(F)c1 ZINC000019287493 368748593 /nfs/dbraw/zinc/74/85/93/368748593.db2.gz PQZMOCCURNGKKC-PBHICJAKSA-N 1 1 283.350 3.186 40 0 CGABMO Nc1cc(Nc2ccccc2Cl)nc(C2CC2)[nH+]1 ZINC000049467662 369402997 /nfs/dbraw/zinc/40/29/97/369402997.db2.gz FUQYHMRGDCWUOQ-UHFFFAOYSA-N 1 1 260.728 3.333 40 0 CGABMO CC[N@@H+]1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000073636237 369863019 /nfs/dbraw/zinc/86/30/19/369863019.db2.gz ATMDZLROVJWCJZ-UHFFFAOYSA-N 1 1 261.756 3.325 40 0 CGABMO CC[N@H+]1CC=C(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000073636237 369863023 /nfs/dbraw/zinc/86/30/23/369863023.db2.gz ATMDZLROVJWCJZ-UHFFFAOYSA-N 1 1 261.756 3.325 40 0 CGABMO CC[N@@H+]1CC=C(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000073636237 369863024 /nfs/dbraw/zinc/86/30/24/369863024.db2.gz ATMDZLROVJWCJZ-UHFFFAOYSA-N 1 1 261.756 3.325 40 0 CGABMO NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000095532266 370201644 /nfs/dbraw/zinc/20/16/44/370201644.db2.gz XHNASWXECKUESZ-ZDUSSCGKSA-N 1 1 272.314 3.191 40 0 CGABMO c1csc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046256 370203387 /nfs/dbraw/zinc/20/33/87/370203387.db2.gz FTANBNKFRCRYEZ-MELADBBJSA-N 1 1 290.388 3.088 40 0 CGABMO c1csc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046256 370203388 /nfs/dbraw/zinc/20/33/88/370203388.db2.gz FTANBNKFRCRYEZ-MELADBBJSA-N 1 1 290.388 3.088 40 0 CGABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3sccc3C)C2)n1 ZINC000257199779 190010869 /nfs/dbraw/zinc/01/08/69/190010869.db2.gz AAUCCQACEDNEHL-ZDUSSCGKSA-N 1 1 275.421 3.088 40 0 CGABMO CC(C)n1nccc1-c1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257214586 190013075 /nfs/dbraw/zinc/01/30/75/190013075.db2.gz CMOARKOIDLTJDJ-CQSZACIVSA-N 1 1 284.407 3.335 40 0 CGABMO Cc1nccc([C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257248163 190019880 /nfs/dbraw/zinc/01/98/80/190019880.db2.gz JCKBHPVZPCODGC-MRXNPFEDSA-N 1 1 299.393 3.346 40 0 CGABMO C[N@H+](Cc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257287547 190026808 /nfs/dbraw/zinc/02/68/08/190026808.db2.gz PQKPRQZEPCZQQD-QGZVFWFLSA-N 1 1 297.402 3.350 40 0 CGABMO C[N@@H+](Cc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257287547 190026809 /nfs/dbraw/zinc/02/68/09/190026809.db2.gz PQKPRQZEPCZQQD-QGZVFWFLSA-N 1 1 297.402 3.350 40 0 CGABMO Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc(C)s3)C2)no1 ZINC000257300999 190029311 /nfs/dbraw/zinc/02/93/11/190029311.db2.gz RWMXNQXZUHBZGN-GFCCVEGCSA-N 1 1 277.393 3.128 40 0 CGABMO Cc1cc(C[N@H+]2CCC[C@@H](c3ncc(C)s3)C2)no1 ZINC000257300999 190029312 /nfs/dbraw/zinc/02/93/12/190029312.db2.gz RWMXNQXZUHBZGN-GFCCVEGCSA-N 1 1 277.393 3.128 40 0 CGABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1F ZINC000193859446 375930224 /nfs/dbraw/zinc/93/02/24/375930224.db2.gz DFMONPQVSZDGDI-LLVKDONJSA-N 1 1 277.318 3.068 40 0 CGABMO CC(C)C[C@@H]([NH3+])c1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716588 392133386 /nfs/dbraw/zinc/13/33/86/392133386.db2.gz ATKLTEZHHBYITI-CYBMUJFWSA-N 1 1 285.347 3.049 40 0 CGABMO CC(C)N(c1ccc([C@@H]2CCC[N@H+]2C)cn1)C(C)C ZINC000072212941 392198750 /nfs/dbraw/zinc/19/87/50/392198750.db2.gz JQXDYZLZPOGTLJ-HNNXBMFYSA-N 1 1 261.413 3.472 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000257267110 393135703 /nfs/dbraw/zinc/13/57/03/393135703.db2.gz MGACSVYWLVNFTB-HNNXBMFYSA-N 1 1 270.380 3.149 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1ncccc1C ZINC000257267110 393135709 /nfs/dbraw/zinc/13/57/09/393135709.db2.gz MGACSVYWLVNFTB-HNNXBMFYSA-N 1 1 270.380 3.149 40 0 CGABMO CCN(CC)C(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000030757029 171622700 /nfs/dbraw/zinc/62/27/00/171622700.db2.gz XDNQAJCJECXHDJ-OAHLLOKOSA-N 1 1 288.435 3.401 40 0 CGABMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044137728 175146074 /nfs/dbraw/zinc/14/60/74/175146074.db2.gz CAAZPJWHENFKCC-OAHLLOKOSA-N 1 1 290.407 3.128 40 0 CGABMO C[N@H+]1CCC[C@@H](c2ccc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365258 176380363 /nfs/dbraw/zinc/38/03/63/176380363.db2.gz CNMCJFWFIIJTHM-QGZVFWFLSA-N 1 1 282.387 3.050 40 0 CGABMO CC1CC[NH+](Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000072398454 176396396 /nfs/dbraw/zinc/39/63/96/176396396.db2.gz YVJPJZWFSSITJS-UHFFFAOYSA-N 1 1 292.770 3.017 40 0 CGABMO CC[NH+]=C1NC=N[C@@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369729 276264090 /nfs/dbraw/zinc/26/40/90/276264090.db2.gz AZRJWJICOQEBLE-DZGCQCFKSA-N 1 1 271.389 3.075 40 0 CGABMO Cc1nc(N2CCCC2)ccc1[C@H]1CCCC[N@@H+]1C ZINC000072218935 279089663 /nfs/dbraw/zinc/08/96/63/279089663.db2.gz MKAFEOKQMIHKFL-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@@H]1CCCCN1C=O ZINC000072219312 279089860 /nfs/dbraw/zinc/08/98/60/279089860.db2.gz QCZPPDYCVJJLLH-INIZCTEOSA-N 1 1 287.407 3.064 40 0 CGABMO Cc1nccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072378705 279169607 /nfs/dbraw/zinc/16/96/07/279169607.db2.gz KAXRFDOJEKOYQR-INIZCTEOSA-N 1 1 297.406 3.050 40 0 CGABMO c1coc(C[N@@H+]2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)c1 ZINC000097953892 230388700 /nfs/dbraw/zinc/38/87/00/230388700.db2.gz CIASSVLLXAPODV-IACUBPJLSA-N 1 1 290.388 3.088 40 0 CGABMO c1coc(C[N@H+]2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)c1 ZINC000097953892 230388701 /nfs/dbraw/zinc/38/87/01/230388701.db2.gz CIASSVLLXAPODV-IACUBPJLSA-N 1 1 290.388 3.088 40 0 CGABMO CCC[N@@H+](C)C[C@@H](C)Nc1cc(OC)cc2cccnc21 ZINC000001656123 368427311 /nfs/dbraw/zinc/42/73/11/368427311.db2.gz KQLLLBJAONQNGY-CYBMUJFWSA-N 1 1 287.407 3.386 40 0 CGABMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000001871108 368440362 /nfs/dbraw/zinc/44/03/62/368440362.db2.gz QVPCHUSMYXRTHF-KRWDZBQOSA-N 1 1 281.355 3.118 40 0 CGABMO CC(C)(C)c1noc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000019084643 368743782 /nfs/dbraw/zinc/74/37/82/368743782.db2.gz CGEOFBNCCLZOMH-CQSZACIVSA-N 1 1 285.391 3.357 40 0 CGABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000049170589 369390930 /nfs/dbraw/zinc/39/09/30/369390930.db2.gz KINRHQVPPKTARV-LBPRGKRZSA-N 1 1 287.338 3.075 40 0 biogenic,in-vitro CGABMO c1ccc2sc([C@H]3CC[N@H+](C4CCOCC4)C3)nc2c1 ZINC000049168956 369391326 /nfs/dbraw/zinc/39/13/26/369391326.db2.gz FFPZDUUSUJKVNJ-LBPRGKRZSA-N 1 1 288.416 3.265 40 0 biogenic,in-vitro CGABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000072227876 369816783 /nfs/dbraw/zinc/81/67/83/369816783.db2.gz LBXPFPBJTQKSRS-QZTJIDSGSA-N 1 1 294.398 3.281 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257201140 190011016 /nfs/dbraw/zinc/01/10/16/190011016.db2.gz AGLRBVCBPOVSHF-MRXNPFEDSA-N 1 1 267.376 3.165 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)n1 ZINC000257272803 190024733 /nfs/dbraw/zinc/02/47/33/190024733.db2.gz NDYDFUXKOIRVGV-CQSZACIVSA-N 1 1 275.421 3.170 40 0 CGABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c(C)n1 ZINC000257295023 190028853 /nfs/dbraw/zinc/02/88/53/190028853.db2.gz QWPZATUHZIXLPS-CYBMUJFWSA-N 1 1 290.436 3.048 40 0 CGABMO Cc1cc(-c2cccc([C@H]3CCC[N@H+](C(C)C)C3)n2)n[nH]1 ZINC000257302037 190030631 /nfs/dbraw/zinc/03/06/31/190030631.db2.gz SBDWNGFEKGPIRG-AWEZNQCLSA-N 1 1 284.407 3.368 40 0 CGABMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)cc1 ZINC000257331644 190035738 /nfs/dbraw/zinc/03/57/38/190035738.db2.gz XTRJAVCQJKKVAL-MRXNPFEDSA-N 1 1 282.391 3.094 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1cccs1 ZINC000223362583 376251196 /nfs/dbraw/zinc/25/11/96/376251196.db2.gz IMHZUMSVURJQHC-AWEZNQCLSA-N 1 1 294.464 3.061 40 0 CGABMO CC[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000226724626 376371894 /nfs/dbraw/zinc/37/18/94/376371894.db2.gz RNHFVWMMSZZINT-NJAFHUGGSA-N 1 1 291.435 3.247 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@H]3CCC[C@@H]32)C1 ZINC000242649077 376783307 /nfs/dbraw/zinc/78/33/07/376783307.db2.gz RUBZSLWQDHSQAX-XLAORIBOSA-N 1 1 292.467 3.083 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@H]3CCC[C@@H]32)C1 ZINC000242649077 376783314 /nfs/dbraw/zinc/78/33/14/376783314.db2.gz RUBZSLWQDHSQAX-XLAORIBOSA-N 1 1 292.467 3.083 40 0 CGABMO CCOCC[C@H]1CCOC12C[NH+](Cc1ccccc1C)C2 ZINC000248131434 377268633 /nfs/dbraw/zinc/26/86/33/377268633.db2.gz ATBJQJSUBJHGSM-KRWDZBQOSA-N 1 1 289.419 3.013 40 0 CGABMO Cc1cc[nH+]c(N[C@@H](C)c2cccc(N3CCOCC3)c2)c1 ZINC000271924233 378517684 /nfs/dbraw/zinc/51/76/84/378517684.db2.gz FVJRJMCPWHZKPP-HNNXBMFYSA-N 1 1 297.402 3.400 40 0 CGABMO CNc1cc(C)c([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072219048 256708284 /nfs/dbraw/zinc/70/82/84/256708284.db2.gz BLADQXPPOLKMJS-MRXNPFEDSA-N 1 1 295.386 3.409 40 0 CGABMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211655 392197182 /nfs/dbraw/zinc/19/71/82/392197182.db2.gz ZRDQMYXDLAKLOY-MRXNPFEDSA-N 1 1 268.360 3.427 40 0 CGABMO CCN(CC)c1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072212913 392199079 /nfs/dbraw/zinc/19/90/79/392199079.db2.gz ICHUSEGNFSNMCK-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO CCCN(CCC)c1ccc([C@H](O)CC)c(C)[nH+]1 ZINC000072224331 392202882 /nfs/dbraw/zinc/20/28/82/392202882.db2.gz UCQIHSNHNMKYAJ-CQSZACIVSA-N 1 1 250.386 3.460 40 0 CGABMO CC[N@@H+](C[C@H](O)COc1ccccc1)C1CCCCC1 ZINC000006438585 170201370 /nfs/dbraw/zinc/20/13/70/170201370.db2.gz HHYZHASZNQSYDT-INIZCTEOSA-N 1 1 277.408 3.081 40 0 CGABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072348582 176373756 /nfs/dbraw/zinc/37/37/56/176373756.db2.gz UOHOXRMVAHSSJA-MRXNPFEDSA-N 1 1 296.414 3.490 40 0 CGABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2ccncn2)c1 ZINC000072385067 176389372 /nfs/dbraw/zinc/38/93/72/176389372.db2.gz KLMKVHCTAUILGA-KRWDZBQOSA-N 1 1 283.375 3.212 40 0 CGABMO CC(=O)N1CCCC[C@@H]1c1c[nH+]c(N2CCCC2)cc1C ZINC000072218895 276965484 /nfs/dbraw/zinc/96/54/84/276965484.db2.gz KMGJRHHPMQDICT-MRXNPFEDSA-N 1 1 287.407 3.064 40 0 CGABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)c1 ZINC000072227431 301997096 /nfs/dbraw/zinc/99/70/96/301997096.db2.gz AEIHWHJHLOUVTG-GJZGRUSLSA-N 1 1 286.762 3.064 40 0 CGABMO Cc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1 ZINC000095534169 185006968 /nfs/dbraw/zinc/00/69/68/185006968.db2.gz UIURUPKANJLEOX-HNNXBMFYSA-N 1 1 278.359 3.137 40 0 CGABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 ZINC000096058416 185078746 /nfs/dbraw/zinc/07/87/46/185078746.db2.gz IHFWJQMJMIROBC-RBUKOAKNSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@H]12 ZINC000096058416 185078747 /nfs/dbraw/zinc/07/87/47/185078747.db2.gz IHFWJQMJMIROBC-RBUKOAKNSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@H]12 ZINC000096058416 185078748 /nfs/dbraw/zinc/07/87/48/185078748.db2.gz IHFWJQMJMIROBC-RBUKOAKNSA-N 1 1 296.414 3.127 40 0 CGABMO CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1sccc1C)C2 ZINC000096107227 185099724 /nfs/dbraw/zinc/09/97/24/185099724.db2.gz MZJOSEJWTYLKKA-ZBFHGGJFSA-N 1 1 295.448 3.217 40 0 CGABMO CCCCCO[C@@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000001557944 282677706 /nfs/dbraw/zinc/67/77/06/282677706.db2.gz NVBMNAJIDBGGOY-VIFPVBQESA-N 1 1 276.635 3.494 40 0 CGABMO C[N@H+]1C[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)C1 ZINC000001671196 368429353 /nfs/dbraw/zinc/42/93/53/368429353.db2.gz PVMGDJVUYFHZES-CALCHBBNSA-N 1 1 265.356 3.069 40 0 CGABMO C[N@@H+]1C[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)C1 ZINC000001671196 368429356 /nfs/dbraw/zinc/42/93/56/368429356.db2.gz PVMGDJVUYFHZES-CALCHBBNSA-N 1 1 265.356 3.069 40 0 CGABMO CC[C@@H](OC[C@H](O)C[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000002694582 368472954 /nfs/dbraw/zinc/47/29/54/368472954.db2.gz KZUCROJGSXJBCA-CGTJXYLNSA-N 1 1 291.435 3.390 40 0 CGABMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000012169927 368605116 /nfs/dbraw/zinc/60/51/16/368605116.db2.gz JGRVELMYSIWKMD-IXDOHACOSA-N 1 1 291.435 3.021 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1F ZINC000013669373 368660753 /nfs/dbraw/zinc/66/07/53/368660753.db2.gz GCWLIBPRTBKJET-CQSZACIVSA-N 1 1 292.398 3.210 40 0 CGABMO Cc1ccsc1C[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000013991351 368673195 /nfs/dbraw/zinc/67/31/95/368673195.db2.gz XFLLYAHCFUKFJH-CQSZACIVSA-N 1 1 275.417 3.440 40 0 CGABMO CSc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000019575752 368757291 /nfs/dbraw/zinc/75/72/91/368757291.db2.gz JVJKUUUZHSHHMB-ZFWWWQNUSA-N 1 1 276.449 3.077 40 0 CGABMO [NH3+]CC1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000034973262 368985449 /nfs/dbraw/zinc/98/54/49/368985449.db2.gz MTNXMXJFFQIXMZ-UHFFFAOYSA-N 1 1 273.207 3.164 40 0 CGABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000072793312 369837949 /nfs/dbraw/zinc/83/79/49/369837949.db2.gz CDYVBIBBAFSZAZ-VIFPVBQESA-N 1 1 287.190 3.274 40 0 CGABMO CO[C@@H]1CC[N@@H+](Cc2ccoc2)[C@H]1Cc1ccccc1 ZINC000096261244 370209340 /nfs/dbraw/zinc/20/93/40/370209340.db2.gz GSDHSKMHFDOCJZ-DLBZAZTESA-N 1 1 271.360 3.112 40 0 CGABMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)[nH]1 ZINC000257235122 190017201 /nfs/dbraw/zinc/01/72/01/190017201.db2.gz GWODMVLEMCRDRM-INIZCTEOSA-N 1 1 298.434 3.130 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2ccc(C)s2)n1 ZINC000257227051 190015188 /nfs/dbraw/zinc/01/51/88/190015188.db2.gz FNKIGWNYKIRUTN-CQSZACIVSA-N 1 1 275.421 3.436 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2ccc(C)s2)n1 ZINC000257227051 190015189 /nfs/dbraw/zinc/01/51/89/190015189.db2.gz FNKIGWNYKIRUTN-CQSZACIVSA-N 1 1 275.421 3.436 40 0 CGABMO c1cc(CC[C@H]2CCC[N@H+]2Cc2ccncc2)ccn1 ZINC000257250039 190019954 /nfs/dbraw/zinc/01/99/54/190019954.db2.gz JKSURDDDMHPJMU-QGZVFWFLSA-N 1 1 267.376 3.074 40 0 CGABMO Cc1cc(-c2cc([C@@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n[nH]1 ZINC000257296703 190028278 /nfs/dbraw/zinc/02/82/78/190028278.db2.gz REAJWFCMTGZJOH-CQSZACIVSA-N 1 1 299.422 3.071 40 0 CGABMO c1cn2c(cccc2[C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257332416 190035809 /nfs/dbraw/zinc/03/58/09/190035809.db2.gz XXGIMBMTOMHWAF-OAHLLOKOSA-N 1 1 278.359 3.066 40 0 CGABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257340492 190036833 /nfs/dbraw/zinc/03/68/33/190036833.db2.gz ZGJMHBZSDPNBCU-KRWDZBQOSA-N 1 1 298.434 3.029 40 0 CGABMO COCc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000195297096 376096635 /nfs/dbraw/zinc/09/66/35/376096635.db2.gz SAAYLBIIKWPWPX-QGZVFWFLSA-N 1 1 298.386 3.074 40 0 CGABMO CCC[n+]1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000226774455 376373380 /nfs/dbraw/zinc/37/33/80/376373380.db2.gz DXSSLEFVGFALLH-UHFFFAOYSA-N 1 1 252.341 3.236 40 0 CGABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218626 392200094 /nfs/dbraw/zinc/20/00/94/392200094.db2.gz VQZKQHTUSDSFJF-HNNXBMFYSA-N 1 1 261.413 3.393 40 0 CGABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215984 392200542 /nfs/dbraw/zinc/20/05/42/392200542.db2.gz LESZSLZMNLHQAK-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)c1 ZINC000072227427 392204157 /nfs/dbraw/zinc/20/41/57/392204157.db2.gz HUILUADKMQLMRD-GJZGRUSLSA-N 1 1 286.762 3.064 40 0 CGABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)cc1 ZINC000095534171 392243976 /nfs/dbraw/zinc/24/39/76/392243976.db2.gz IITWSZRHHGHJRT-OAHLLOKOSA-N 1 1 278.359 3.137 40 0 CGABMO CCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020480927 171221795 /nfs/dbraw/zinc/22/17/95/171221795.db2.gz YYQYZCAOPCUHHO-CQSZACIVSA-N 1 1 274.408 3.058 40 0 CGABMO [NH2+]=C(Nc1ccccc1)Nc1nc(=O)c2ccccc2s1 ZINC000040385343 174251394 /nfs/dbraw/zinc/25/13/94/174251394.db2.gz GFOOOAQMJMLORF-UHFFFAOYSA-N 1 1 296.355 3.115 40 0 CGABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355678 176375118 /nfs/dbraw/zinc/37/51/18/176375118.db2.gz CORGABVMUKPWLO-OAHLLOKOSA-N 1 1 284.407 3.164 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1cccc(-c2ccc(N)nc2)n1 ZINC000072357539 176376288 /nfs/dbraw/zinc/37/62/88/176376288.db2.gz ZYBTXWLQVVCJRI-INIZCTEOSA-N 1 1 282.391 3.271 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1nccnc1-c1ccc(CO)cc1 ZINC000072358407 176376411 /nfs/dbraw/zinc/37/64/11/176376411.db2.gz VICIGOVBEUBGOI-INIZCTEOSA-N 1 1 297.402 3.181 40 0 CGABMO c1c[nH]c(C[N@@H+]2CC[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000072368027 176382164 /nfs/dbraw/zinc/38/21/64/176382164.db2.gz IAQSTCNGPXVGKO-OAHLLOKOSA-N 1 1 292.386 3.023 40 0 CGABMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000003141360 276010532 /nfs/dbraw/zinc/01/05/32/276010532.db2.gz KIMROAPJONSNJU-HNNXBMFYSA-N 1 1 274.408 3.425 40 0 CGABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000072227877 276691673 /nfs/dbraw/zinc/69/16/73/276691673.db2.gz LBXPFPBJTQKSRS-MSOLQXFVSA-N 1 1 294.398 3.281 40 0 CGABMO C[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000003812984 290252858 /nfs/dbraw/zinc/25/28/58/290252858.db2.gz JAQUASYNZVUNQP-USXIJHARSA-N 1 1 257.377 3.080 40 0 fda CGABMO c1ccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCOC2)cc1 ZINC000072398435 526467689 /nfs/dbraw/zinc/46/76/89/526467689.db2.gz WPFLSAYKHQXLTG-KRWDZBQOSA-N 1 1 282.387 3.120 40 0 CGABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccsc1)CC2 ZINC000096047493 185072447 /nfs/dbraw/zinc/07/24/47/185072447.db2.gz HHVWFDKPJWHANS-INIZCTEOSA-N 1 1 292.448 3.115 40 0 CGABMO CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096056793 185078096 /nfs/dbraw/zinc/07/80/96/185078096.db2.gz NLEXSHPMPYXTBJ-HOTGVXAUSA-N 1 1 295.448 3.156 40 0 CGABMO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000006008022 344863913 /nfs/dbraw/zinc/86/39/13/344863913.db2.gz CLGXEJOPRIEXHR-JKSUJKDBSA-N 1 1 291.435 3.282 40 0 CGABMO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2ccsc2)C1 ZINC000585094665 346724282 /nfs/dbraw/zinc/72/42/82/346724282.db2.gz VQCXPAFUUVJXDH-AWEZNQCLSA-N 1 1 290.432 3.218 40 0 CGABMO NC(=O)C[C@H]([NH3+])c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000090585983 180009704 /nfs/dbraw/zinc/00/97/04/180009704.db2.gz PVBGDBVQEVLOJF-JTQLQIEISA-N 1 1 299.157 3.129 40 0 CGABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1Cc1ccccn1 ZINC000019451495 368752739 /nfs/dbraw/zinc/75/27/39/368752739.db2.gz NZZBFDSFYNTGCB-GOSISDBHSA-N 1 1 299.418 3.017 40 0 CGABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1Cc1ccccn1 ZINC000019451495 368752744 /nfs/dbraw/zinc/75/27/44/368752744.db2.gz NZZBFDSFYNTGCB-GOSISDBHSA-N 1 1 299.418 3.017 40 0 CGABMO CC(C)[C@H]1CN(Cc2ccco2)CC[N@@H+]1Cc1ccccn1 ZINC000019451495 368752748 /nfs/dbraw/zinc/75/27/48/368752748.db2.gz NZZBFDSFYNTGCB-GOSISDBHSA-N 1 1 299.418 3.017 40 0 CGABMO CC(C)[C@H]1CN(Cc2ccco2)CC[N@H+]1Cc1ccccn1 ZINC000019451495 368752752 /nfs/dbraw/zinc/75/27/52/368752752.db2.gz NZZBFDSFYNTGCB-GOSISDBHSA-N 1 1 299.418 3.017 40 0 CGABMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cc[nH]n1 ZINC000037118596 369063167 /nfs/dbraw/zinc/06/31/67/369063167.db2.gz XTASNSYINKYZFF-ZDUSSCGKSA-N 1 1 259.353 3.114 40 0 CGABMO CCc1ncnc2c1CC[N@@H+](Cc1ccc(C)s1)CC2 ZINC000096255016 370209535 /nfs/dbraw/zinc/20/95/35/370209535.db2.gz MJHVPIRJCVOJKM-UHFFFAOYSA-N 1 1 287.432 3.010 40 0 CGABMO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2ccc(C)s2)n1 ZINC000257236123 190018122 /nfs/dbraw/zinc/01/81/22/190018122.db2.gz HAWUKFUSJKLBFA-CYBMUJFWSA-N 1 1 261.394 3.425 40 0 CGABMO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc(C)s2)n1 ZINC000257236123 190018123 /nfs/dbraw/zinc/01/81/23/190018123.db2.gz HAWUKFUSJKLBFA-CYBMUJFWSA-N 1 1 261.394 3.425 40 0 CGABMO Cc1cccc(C[C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257267466 190023291 /nfs/dbraw/zinc/02/32/91/190023291.db2.gz MHKZAURGVLAROW-CQSZACIVSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1cccc(C[C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257267466 190023292 /nfs/dbraw/zinc/02/32/92/190023292.db2.gz MHKZAURGVLAROW-CQSZACIVSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000257286627 190027151 /nfs/dbraw/zinc/02/71/51/190027151.db2.gz PMHJJTNEXQRKNC-QGZVFWFLSA-N 1 1 283.419 3.151 40 0 CGABMO CC1(c2nccs2)CC[NH+](Cc2ncccc2F)CC1 ZINC000257302030 190030440 /nfs/dbraw/zinc/03/04/40/190030440.db2.gz SBCAIDDHNUIUHI-UHFFFAOYSA-N 1 1 291.395 3.231 40 0 CGABMO c1csc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)n1 ZINC000257319755 190033681 /nfs/dbraw/zinc/03/36/81/190033681.db2.gz VTYKLTHCJZHTEY-CQSZACIVSA-N 1 1 273.405 3.135 40 0 CGABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000257337145 190036680 /nfs/dbraw/zinc/03/66/80/190036680.db2.gz YROUITNGNHPCEV-GFCCVEGCSA-N 1 1 261.394 3.159 40 0 CGABMO C[N@@H+]1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257342710 190037619 /nfs/dbraw/zinc/03/76/19/190037619.db2.gz ZPVFJGWDELRNEG-CQSZACIVSA-N 1 1 260.312 3.171 40 0 CGABMO C[N@H+]1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257342710 190037620 /nfs/dbraw/zinc/03/76/20/190037620.db2.gz ZPVFJGWDELRNEG-CQSZACIVSA-N 1 1 260.312 3.171 40 0 CGABMO CCC(=O)Nc1cc([NH+]2C[C@H](C)C[C@@H](C)C2)c(C)cc1N ZINC000216865487 376168155 /nfs/dbraw/zinc/16/81/55/376168155.db2.gz AYPIJOQNRJSDTE-VXGBXAGGSA-N 1 1 289.423 3.408 40 0 CGABMO CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000248267142 377285036 /nfs/dbraw/zinc/28/50/36/377285036.db2.gz YEAAFHQYCUNACY-GDBMZVCRSA-N 1 1 293.480 3.230 40 0 CGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257308069 377796763 /nfs/dbraw/zinc/79/67/63/377796763.db2.gz TVHKUGPOHVNBKQ-MTHXSQLBSA-N 1 1 284.447 3.223 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215981 392198567 /nfs/dbraw/zinc/19/85/67/392198567.db2.gz BHOPRJPFQJPFAT-OAHLLOKOSA-N 1 1 259.397 3.227 40 0 CGABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C)CC ZINC000072212795 392198906 /nfs/dbraw/zinc/19/89/06/392198906.db2.gz VQSIJSOKQLBJHM-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO CC(C)[N@@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000079420688 392220138 /nfs/dbraw/zinc/22/01/38/392220138.db2.gz VPULCGMTSYRAKM-UHFFFAOYSA-N 1 1 262.180 3.196 40 0 CGABMO CC(C)=CC[N@H+]1CCC[C@@H](n2c(=O)oc3ccccc32)C1 ZINC000012219409 397604274 /nfs/dbraw/zinc/60/42/74/397604274.db2.gz SKDLJRYCCFRNBX-CQSZACIVSA-N 1 1 286.375 3.198 40 0 CGABMO COCCNc1c(-c2ccc(O)cc2)[nH+]c2cccc(C)n21 ZINC000004848472 170029378 /nfs/dbraw/zinc/02/93/78/170029378.db2.gz QRNMQSPSZFKHEN-UHFFFAOYSA-N 1 1 297.358 3.074 40 0 CGABMO c1cn(-c2cccc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)cn1 ZINC000072355517 176374759 /nfs/dbraw/zinc/37/47/59/176374759.db2.gz DVEOHQCMAZLYHO-INIZCTEOSA-N 1 1 282.391 3.347 40 0 CGABMO C[N@H+]1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000072364720 176379718 /nfs/dbraw/zinc/37/97/18/176379718.db2.gz HOHMQSMIZHSTHM-CQSZACIVSA-N 1 1 268.364 3.029 40 0 CGABMO Cc1cncc([C@H]2CCC[N@@H+](Cc3ccsc3)C2)n1 ZINC000072369407 176384251 /nfs/dbraw/zinc/38/42/51/176384251.db2.gz FTVVUQPQVGUCMQ-AWEZNQCLSA-N 1 1 273.405 3.226 40 0 CGABMO Cc1ccccc1-c1cnc([C@@H]2CCC[N@H+](C)C2)cn1 ZINC000072382914 176388043 /nfs/dbraw/zinc/38/80/43/176388043.db2.gz OZLRUAYUIVFFMW-CQSZACIVSA-N 1 1 267.376 3.261 40 0 CGABMO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[N@@H+]2C)n1 ZINC000072382618 176388303 /nfs/dbraw/zinc/38/83/03/176388303.db2.gz AONUSXSUBICDCE-LBPRGKRZSA-N 1 1 289.408 3.142 40 0 CGABMO CC(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000049155383 416467799 /nfs/dbraw/zinc/46/77/99/416467799.db2.gz WJLBONKWRDIUTC-ZDUSSCGKSA-N 1 1 290.342 3.064 40 0 biogenic,in-vitro CGABMO COc1cc2c3c(c1O)-c1ccccc1C[C@H]3[N@H+](C)CC2 ZINC000000338132 274102637 /nfs/dbraw/zinc/10/26/37/274102637.db2.gz YXVXMURDCBMPRH-CQSZACIVSA-N 1 1 281.355 3.153 40 0 biogenic,in-vitro CGABMO COc1cc2c3c(c1O)-c1ccccc1C[C@H]3[N@@H+](C)CC2 ZINC000000338132 274102640 /nfs/dbraw/zinc/10/26/40/274102640.db2.gz YXVXMURDCBMPRH-CQSZACIVSA-N 1 1 281.355 3.153 40 0 biogenic,in-vitro CGABMO CSc1ncc2c(n1)-c1ccccc1O[C@@H]2[NH2+]C1CC1 ZINC000031872232 274190025 /nfs/dbraw/zinc/19/00/25/274190025.db2.gz ZUJJUKJZOIGEEM-AWEZNQCLSA-N 1 1 285.372 3.009 40 0 CGABMO c1ccc(C[NH2+]Cc2nnc3ccc4ccccc4n32)cc1 ZINC000005338334 275067280 /nfs/dbraw/zinc/06/72/80/275067280.db2.gz SAWSBPXKXRCSES-UHFFFAOYSA-N 1 1 288.354 3.172 40 0 CGABMO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2CC1CC1 ZINC000000001227 278105020 /nfs/dbraw/zinc/10/50/20/278105020.db2.gz YQYVFVRQLZMJKJ-NXOUGTEYSA-N 1 1 271.404 3.326 40 0 in-man CGABMO CC[C@@H](C)Nc1nc(N2CCc3ccccc3C2)cc[nH+]1 ZINC000243149623 522236741 /nfs/dbraw/zinc/23/67/41/522236741.db2.gz JNRNYAFBSQMTHI-CYBMUJFWSA-N 1 1 282.391 3.250 40 0 CGABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 ZINC000096058412 185079403 /nfs/dbraw/zinc/07/94/03/185079403.db2.gz ACSZNQVPNYRNTG-RBUKOAKNSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccco3)C[C@H]12 ZINC000096058412 185079404 /nfs/dbraw/zinc/07/94/04/185079404.db2.gz ACSZNQVPNYRNTG-RBUKOAKNSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccco3)C[C@H]12 ZINC000096058412 185079405 /nfs/dbraw/zinc/07/94/05/185079405.db2.gz ACSZNQVPNYRNTG-RBUKOAKNSA-N 1 1 296.414 3.127 40 0 CGABMO CN(C)Cc1ccnc([C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000257309808 282149977 /nfs/dbraw/zinc/14/99/77/282149977.db2.gz UCLOZOKLYSWYAY-INIZCTEOSA-N 1 1 288.439 3.008 40 0 CGABMO Cc1nc(NC2CC2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000329013544 136377270 /nfs/dbraw/zinc/37/72/70/136377270.db2.gz MQKSPQZMLNFRKG-GFCCVEGCSA-N 1 1 294.402 3.311 40 0 CGABMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)c[nH]c1=O ZINC000072217948 345406395 /nfs/dbraw/zinc/40/63/95/345406395.db2.gz AEVUDZXWGJDDEX-MRXNPFEDSA-N 1 1 268.360 3.020 40 0 CGABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000585181423 346725908 /nfs/dbraw/zinc/72/59/08/346725908.db2.gz DQXCGGHHHOBFNX-OAHLLOKOSA-N 1 1 280.375 3.189 40 0 CGABMO C[C@H](c1ccco1)[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000013568429 368657230 /nfs/dbraw/zinc/65/72/30/368657230.db2.gz DMRLXZQPIQCQNN-LLVKDONJSA-N 1 1 261.369 3.493 40 0 CGABMO C[C@H](c1ccco1)[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000013568429 368657239 /nfs/dbraw/zinc/65/72/39/368657239.db2.gz DMRLXZQPIQCQNN-LLVKDONJSA-N 1 1 261.369 3.493 40 0 CGABMO c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000026898122 368866945 /nfs/dbraw/zinc/86/69/45/368866945.db2.gz HMGDLYUTYLPXDR-KRWDZBQOSA-N 1 1 253.345 3.340 40 0 CGABMO CC1=C2C(=[NH+]CCc3cccs3)NC=N[C@@H]2SC1C ZINC000028616843 368887899 /nfs/dbraw/zinc/88/78/99/368887899.db2.gz WYKSKEUSZHRFQX-TZMCWYRMSA-N 1 1 291.445 3.304 40 0 CGABMO c1cncc(-c2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)c1 ZINC000049169656 369390945 /nfs/dbraw/zinc/39/09/45/369390945.db2.gz DQLGVMSAGWOOQC-AWEZNQCLSA-N 1 1 298.390 3.254 40 0 biogenic,in-vitro CGABMO CCC[NH+]=C1NC=N[C@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369750 369535993 /nfs/dbraw/zinc/53/59/93/369535993.db2.gz RGFYCIDYDFHXQW-HOCLYGCPSA-N 1 1 285.416 3.465 40 0 CGABMO CC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068117935 369738345 /nfs/dbraw/zinc/73/83/45/369738345.db2.gz UEOCRVZQDTUWNL-MRXNPFEDSA-N 1 1 288.435 3.061 40 0 CGABMO Cc1cc(C)nc([C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000072381089 369818033 /nfs/dbraw/zinc/81/80/33/369818033.db2.gz HEVYTQPSLUXYRQ-AWEZNQCLSA-N 1 1 259.397 3.215 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cn(C)nc2C)no1 ZINC000019119475 541854400 /nfs/dbraw/zinc/85/44/00/541854400.db2.gz HQWYTKDXMUYLLS-MRXNPFEDSA-N 1 1 288.395 3.142 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cn(C)nc2C)no1 ZINC000019119475 541854401 /nfs/dbraw/zinc/85/44/01/541854401.db2.gz HQWYTKDXMUYLLS-MRXNPFEDSA-N 1 1 288.395 3.142 40 0 CGABMO CCN(C)c1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072212779 284371835 /nfs/dbraw/zinc/37/18/35/284371835.db2.gz PCEXXCNJOQGHMG-HNNXBMFYSA-N 1 1 261.413 3.331 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccc(C)s2)n1 ZINC000257227050 190015102 /nfs/dbraw/zinc/01/51/02/190015102.db2.gz FNKIGWNYKIRUTN-AWEZNQCLSA-N 1 1 275.421 3.436 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccc(C)s2)n1 ZINC000257227050 190015103 /nfs/dbraw/zinc/01/51/03/190015103.db2.gz FNKIGWNYKIRUTN-AWEZNQCLSA-N 1 1 275.421 3.436 40 0 CGABMO CC(C)n1ccnc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257266158 190023266 /nfs/dbraw/zinc/02/32/66/190023266.db2.gz MBVDVNCVXHHTEX-UHFFFAOYSA-N 1 1 298.434 3.314 40 0 CGABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257266614 190023455 /nfs/dbraw/zinc/02/34/55/190023455.db2.gz MDSGOVNPTILQDC-ZDUSSCGKSA-N 1 1 291.345 3.376 40 0 CGABMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257259115 190021252 /nfs/dbraw/zinc/02/12/52/190021252.db2.gz KWWVGCZXYHOBEQ-MRXNPFEDSA-N 1 1 267.376 3.165 40 0 CGABMO Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCC[N@H+]2C)n1 ZINC000257291624 190027988 /nfs/dbraw/zinc/02/79/88/190027988.db2.gz QHXCLEGMLNFYJN-MRXNPFEDSA-N 1 1 299.422 3.386 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](c2cncc(-c3cncs3)n2)C1 ZINC000257339503 190037264 /nfs/dbraw/zinc/03/72/64/190037264.db2.gz ZCAAMFQIJNWKSA-GFCCVEGCSA-N 1 1 288.420 3.188 40 0 CGABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218745 256708319 /nfs/dbraw/zinc/70/83/19/256708319.db2.gz YCDCQONKHUWMPG-OAHLLOKOSA-N 1 1 261.413 3.393 40 0 CGABMO CCN(C)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072212736 392198840 /nfs/dbraw/zinc/19/88/40/392198840.db2.gz UEAFOKQDTMUAPA-HNNXBMFYSA-N 1 1 261.413 3.473 40 0 CGABMO Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N ZINC000072218437 392200722 /nfs/dbraw/zinc/20/07/22/392200722.db2.gz DRRZMLRKJCBZSM-LBPRGKRZSA-N 1 1 277.368 3.044 40 0 CGABMO CC[C@@H](O)c1ccc(NCc2ccccc2)[nH+]c1C ZINC000072224413 392203070 /nfs/dbraw/zinc/20/30/70/392203070.db2.gz GHELFVHCUHXQLX-OAHLLOKOSA-N 1 1 256.349 3.446 40 0 CGABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2Cl)c1 ZINC000072227424 392204735 /nfs/dbraw/zinc/20/47/35/392204735.db2.gz GESSSQOIMVUDOF-HUUCEWRRSA-N 1 1 286.762 3.064 40 0 CGABMO Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082323880 392223080 /nfs/dbraw/zinc/22/30/80/392223080.db2.gz OOAOQYUOZFELGT-AWEZNQCLSA-N 1 1 274.408 3.399 40 0 CGABMO CC(C)[N@H+]1CCc2nc(Cl)c(Br)cc2C1 ZINC000096510618 392257917 /nfs/dbraw/zinc/25/79/17/392257917.db2.gz ZQXPFWLUTUEINC-UHFFFAOYSA-N 1 1 289.604 3.264 40 0 CGABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(Sc1cccc(Cl)n1)C2 ZINC000005675074 170126660 /nfs/dbraw/zinc/12/66/60/170126660.db2.gz RNGBJEDKBKCFEJ-ZACCUICWSA-N 1 1 268.813 3.452 40 0 CGABMO O[C@@H]1CCC[C@@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000006567596 170214319 /nfs/dbraw/zinc/21/43/19/170214319.db2.gz QBOSUFUCBZTWSO-MEBBXXQBSA-N 1 1 276.767 3.461 40 0 CGABMO CN(C)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000008373869 170333306 /nfs/dbraw/zinc/33/33/06/170333306.db2.gz JUHXETSKLALPHE-UHFFFAOYSA-N 1 1 298.430 3.307 40 0 CGABMO COc1cc(C=O)ccc1OCCC[N@H+]1CCCC[C@@H]1C ZINC000008731554 170351254 /nfs/dbraw/zinc/35/12/54/170351254.db2.gz YDSXYOFZQQVXGL-AWEZNQCLSA-N 1 1 291.391 3.151 40 0 CGABMO NC[C@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCC1 ZINC000039789199 174173733 /nfs/dbraw/zinc/17/37/33/174173733.db2.gz SAHMBTSGZRHQJZ-LJQANCHMSA-N 1 1 296.414 3.361 40 0 CGABMO Cc1ccccc1-c1cnc([C@H]2CCC[N@H+](C)C2)cn1 ZINC000072382915 176387957 /nfs/dbraw/zinc/38/79/57/176387957.db2.gz OZLRUAYUIVFFMW-AWEZNQCLSA-N 1 1 267.376 3.261 40 0 CGABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccncn2)cc1 ZINC000072384982 176388769 /nfs/dbraw/zinc/38/87/69/176388769.db2.gz QQJLXXIZSBLTPX-KRWDZBQOSA-N 1 1 283.375 3.212 40 0 CGABMO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H]2CCCC[C@H]21 ZINC000013118909 278222562 /nfs/dbraw/zinc/22/25/62/278222562.db2.gz TYRBZUUHADCCGQ-SQNIBIBYSA-N 1 1 287.403 3.339 40 0 CGABMO Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N ZINC000072218476 280646968 /nfs/dbraw/zinc/64/69/68/280646968.db2.gz MVBJDMJNBGYVCS-INIZCTEOSA-N 1 1 295.386 3.340 40 0 CGABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccccc2Cl)c1 ZINC000072227423 281223214 /nfs/dbraw/zinc/22/32/14/281223214.db2.gz GESSSQOIMVUDOF-GJZGRUSLSA-N 1 1 286.762 3.064 40 0 CGABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2)c1 ZINC000072227430 281223433 /nfs/dbraw/zinc/22/34/33/281223433.db2.gz AEIHWHJHLOUVTG-LSDHHAIUSA-N 1 1 286.762 3.064 40 0 CGABMO Fc1c(Br)cccc1C[NH+]1CCCC1 ZINC000238554418 526292342 /nfs/dbraw/zinc/29/23/42/526292342.db2.gz SKECQWKNZMQTQH-UHFFFAOYSA-N 1 1 258.134 3.184 40 0 CGABMO CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccs1)CCO2 ZINC000096051866 185074204 /nfs/dbraw/zinc/07/42/04/185074204.db2.gz XJAOLUOYIZFNAN-GOEBONIOSA-N 1 1 295.448 3.156 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000205691956 346283260 /nfs/dbraw/zinc/28/32/60/346283260.db2.gz WNZDZXDJAUEUCC-ZDUSSCGKSA-N 1 1 261.394 3.127 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000205691956 346283267 /nfs/dbraw/zinc/28/32/67/346283267.db2.gz WNZDZXDJAUEUCC-ZDUSSCGKSA-N 1 1 261.394 3.127 40 0 CGABMO CCCCOc1ccc(Cl)cc1-c1noc(C[NH3+])n1 ZINC000256054734 346399587 /nfs/dbraw/zinc/39/95/87/346399587.db2.gz XNYSQWHOIBAQPK-UHFFFAOYSA-N 1 1 281.743 3.028 40 0 CGABMO CCCCO[C@@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000001557943 282849482 /nfs/dbraw/zinc/84/94/82/282849482.db2.gz MAVDZFWGEPDETD-QMMMGPOBSA-N 1 1 262.608 3.104 40 0 CGABMO OCC[N@@H+](Cc1cccs1)Cc1ccc(F)c(F)c1 ZINC000013997463 368672722 /nfs/dbraw/zinc/67/27/22/368672722.db2.gz NJYPAJQUXJZYQS-UHFFFAOYSA-N 1 1 283.343 3.021 40 0 CGABMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)o1 ZINC000049169171 369391272 /nfs/dbraw/zinc/39/12/72/369391272.db2.gz BHMRXFAEWZSYRV-LBPRGKRZSA-N 1 1 277.755 3.021 40 0 biogenic,in-vitro CGABMO CC(C)[N@H+]1CC[C@H](c2nnc(-c3ccccc3F)o2)C1 ZINC000049170581 369391289 /nfs/dbraw/zinc/39/12/89/369391289.db2.gz VSCIKWAZMIHZAP-NSHDSACASA-N 1 1 275.327 3.073 40 0 biogenic,in-vitro CGABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000067800949 369730025 /nfs/dbraw/zinc/73/00/25/369730025.db2.gz CHEMJXXSYPKSTH-CQSZACIVSA-N 1 1 282.428 3.166 40 0 CGABMO CCc1ccc2oc(C3=CC[N@@H+](CC)CC3)nc2c1 ZINC000073635989 369863298 /nfs/dbraw/zinc/86/32/98/369863298.db2.gz PDAQQNVSODUZRE-UHFFFAOYSA-N 1 1 256.349 3.499 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 ZINC000257205185 190011591 /nfs/dbraw/zinc/01/15/91/190011591.db2.gz AXZWYDLZJOOKQA-HNNXBMFYSA-N 1 1 284.407 3.135 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)s1 ZINC000257216191 190014091 /nfs/dbraw/zinc/01/40/91/190014091.db2.gz CTNGCQUTTKCLQC-CYBMUJFWSA-N 1 1 273.405 3.226 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](Cc2ccc(-c3ccnn3C)nc2)C1 ZINC000257221226 190014741 /nfs/dbraw/zinc/01/47/41/190014741.db2.gz DOAYQEIOAZLFSN-MRXNPFEDSA-N 1 1 298.434 3.145 40 0 CGABMO CC(C)c1nccn1-c1ccnc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000257293098 190028821 /nfs/dbraw/zinc/02/88/21/190028821.db2.gz QOCNTJMKSXSVGV-AWEZNQCLSA-N 1 1 284.407 3.200 40 0 CGABMO CC1(c2nccs2)CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000257333710 190035781 /nfs/dbraw/zinc/03/57/81/190035781.db2.gz YCSIPRZGYKPQHE-UHFFFAOYSA-N 1 1 291.395 3.231 40 0 CGABMO CCC(=O)O[C@@]1(c2ccccc2)[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000245333871 376802293 /nfs/dbraw/zinc/80/22/93/376802293.db2.gz BNLWVZWKDILPMJ-HALDLXJZSA-N 1 1 275.392 3.053 40 0 CGABMO OC[C@@H](c1cccc(Cl)c1Cl)[NH+]1CCCC1 ZINC000070453285 285272457 /nfs/dbraw/zinc/27/24/57/285272457.db2.gz XWBDWQKDCDFIMT-NSHDSACASA-N 1 1 260.164 3.123 40 0 CGABMO Cc1cc(NC2CC2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223815 256704959 /nfs/dbraw/zinc/70/49/59/256704959.db2.gz ZWACIHOWWPGYDR-INIZCTEOSA-N 1 1 254.333 3.046 40 0 CGABMO CO[C@H]1CCCC[C@@H]1OC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000005748904 391925563 /nfs/dbraw/zinc/92/55/63/391925563.db2.gz OZYVLMYWJFRCQM-HOTGVXAUSA-N 1 1 297.439 3.142 40 0 CGABMO c1csc(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000069877638 392175934 /nfs/dbraw/zinc/17/59/34/392175934.db2.gz VBUFGYPLIUTMDC-UHFFFAOYSA-N 1 1 250.392 3.372 40 0 CGABMO CCN(CC)c1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072212852 392198610 /nfs/dbraw/zinc/19/86/10/392198610.db2.gz TYAKUJPPVOVIMR-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO Cc1[nH+]c(NC(C)C)ccc1CNC(=O)OC(C)(C)C ZINC000072224042 392203148 /nfs/dbraw/zinc/20/31/48/392203148.db2.gz RKCQGQFSBHYOFT-UHFFFAOYSA-N 1 1 279.384 3.235 40 0 CGABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2cccc(Cl)c2)c1 ZINC000072227426 392204370 /nfs/dbraw/zinc/20/43/70/392204370.db2.gz HUILUADKMQLMRD-LSDHHAIUSA-N 1 1 286.762 3.064 40 0 CGABMO Fc1ccc(-c2ncnc3c2CC[N@@H+](CC2CC2)CC3)cc1 ZINC000096058710 392245305 /nfs/dbraw/zinc/24/53/05/392245305.db2.gz QUPPOAXOMBBCOE-UHFFFAOYSA-N 1 1 297.377 3.093 40 0 CGABMO c1cc2cc(C[C@@H]3COCC[N@H+](CC4CC4)C3)ccc2[nH]1 ZINC000257322455 393135744 /nfs/dbraw/zinc/13/57/44/393135744.db2.gz WGBQEPBPWVRYGF-INIZCTEOSA-N 1 1 284.403 3.069 40 0 CGABMO CC[C@]12CC[C@@H](O)[C@@H]1[N@@H+](C)CC[C@@H]2Sc1ccccc1 ZINC000005808193 170142039 /nfs/dbraw/zinc/14/20/39/170142039.db2.gz KXKOAQZKAXUINI-LTIDMASMSA-N 1 1 291.460 3.403 40 0 CGABMO CC[C@]12CC[C@H](O)[C@@H]1[N@@H+](C)CC[C@@H]2Sc1ccccc1 ZINC000005808191 170142103 /nfs/dbraw/zinc/14/21/03/170142103.db2.gz KXKOAQZKAXUINI-LUKYLMHMSA-N 1 1 291.460 3.403 40 0 CGABMO C[C@@H](c1ccco1)[N@H+](C)Cc1[nH]nnc1-c1ccccc1 ZINC000072397955 176395489 /nfs/dbraw/zinc/39/54/89/176395489.db2.gz GLXAYIXRDKUPKN-LBPRGKRZSA-N 1 1 282.347 3.258 40 0 CGABMO C[C@@H](c1ccco1)[N@@H+](C)Cc1[nH]nnc1-c1ccccc1 ZINC000072397955 176395490 /nfs/dbraw/zinc/39/54/90/176395490.db2.gz GLXAYIXRDKUPKN-LBPRGKRZSA-N 1 1 282.347 3.258 40 0 CGABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccsc1 ZINC000019287515 279160261 /nfs/dbraw/zinc/16/02/61/279160261.db2.gz ARLRGRCOKAIUCH-DOMZBBRYSA-N 1 1 271.389 3.108 40 0 CGABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccsc1 ZINC000019287515 279160265 /nfs/dbraw/zinc/16/02/65/279160265.db2.gz ARLRGRCOKAIUCH-DOMZBBRYSA-N 1 1 271.389 3.108 40 0 CGABMO Cc1ccc(C2=C3C(=[NH+]C4CC4)NC=N[C@H]3SC2)cc1 ZINC000057369707 280800957 /nfs/dbraw/zinc/80/09/57/280800957.db2.gz CGZSUYKZBZRKMI-ZBFHGGJFSA-N 1 1 283.400 3.217 40 0 CGABMO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCC[N@@H+]1C ZINC000072219265 293293879 /nfs/dbraw/zinc/29/38/79/293293879.db2.gz CAFCKPSWNPUCGJ-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc(N(C)C)ncc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218684 301329630 /nfs/dbraw/zinc/32/96/30/301329630.db2.gz WIKLITZEXNAYRP-OAHLLOKOSA-N 1 1 261.413 3.249 40 0 CGABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccs1 ZINC000096055770 185076081 /nfs/dbraw/zinc/07/60/81/185076081.db2.gz TWLMMABOLOSOGG-LSDHHAIUSA-N 1 1 264.438 3.053 40 0 CGABMO Cc1cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)oc1C ZINC000096054654 185076703 /nfs/dbraw/zinc/07/67/03/185076703.db2.gz SUYUECBXHZHMPR-TXEJJXNPSA-N 1 1 255.308 3.374 40 0 CGABMO NC(=O)C[C@@H]([NH3+])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000090585985 180009741 /nfs/dbraw/zinc/00/97/41/180009741.db2.gz SPQUYMLJJZOYKX-SNVBAGLBSA-N 1 1 299.157 3.129 40 0 CGABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218758 283321721 /nfs/dbraw/zinc/32/17/21/283321721.db2.gz CDMROGOMACUMHY-OAHLLOKOSA-N 1 1 261.413 3.393 40 0 CGABMO OCC[N@@H+](Cc1cccs1)Cc1cccc2cccnc21 ZINC000013997448 368673230 /nfs/dbraw/zinc/67/32/30/368673230.db2.gz YYVFNGALXIFNAA-UHFFFAOYSA-N 1 1 298.411 3.291 40 0 CGABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215986 369816142 /nfs/dbraw/zinc/81/61/42/369816142.db2.gz ABSHMSGHPWZMCK-INIZCTEOSA-N 1 1 273.424 3.475 40 0 CGABMO Cc1cc(-c2noc([C@@H](C)[NH3+])n2)cc(C)c1OC(C)C ZINC000095095348 370174898 /nfs/dbraw/zinc/17/48/98/370174898.db2.gz DSQXDRAAXHFUCA-LLVKDONJSA-N 1 1 275.352 3.160 40 0 CGABMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)cc1)C2 ZINC000096268548 370208359 /nfs/dbraw/zinc/20/83/59/370208359.db2.gz HAIFWKXAQYYLJL-MRXNPFEDSA-N 1 1 278.827 3.258 40 0 CGABMO Cc1cccc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)n1 ZINC000019236259 541854233 /nfs/dbraw/zinc/85/42/33/541854233.db2.gz REEPGZXCPHLYHU-KRWDZBQOSA-N 1 1 284.407 3.241 40 0 CGABMO Cc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)n1 ZINC000019236259 541854238 /nfs/dbraw/zinc/85/42/38/541854238.db2.gz REEPGZXCPHLYHU-KRWDZBQOSA-N 1 1 284.407 3.241 40 0 CGABMO Cc1cc(N2CC[NH+](CC3CC3)CC2)c2cc(F)ccc2n1 ZINC000301677309 373797696 /nfs/dbraw/zinc/79/76/96/373797696.db2.gz QLFGFKZKTIJDRL-UHFFFAOYSA-N 1 1 299.393 3.214 40 0 CGABMO C[N@H+]1CC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257222078 190014623 /nfs/dbraw/zinc/01/46/23/190014623.db2.gz DRURTBDKGZKWOJ-LBPRGKRZSA-N 1 1 276.767 3.338 40 0 CGABMO CCc1nc(C)c(C[N@H+]2CCC[C@@H]2c2ccnc(NC)c2)[nH]1 ZINC000257243933 190018529 /nfs/dbraw/zinc/01/85/29/190018529.db2.gz IJDUMFIOLABSPW-OAHLLOKOSA-N 1 1 299.422 3.054 40 0 CGABMO C[N@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000334270677 206287226 /nfs/dbraw/zinc/28/72/26/206287226.db2.gz STSLSMOJBBRHHI-JTQLQIEISA-N 1 1 297.280 3.175 40 0 CGABMO Cc1cncc([C@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000257298970 190029565 /nfs/dbraw/zinc/02/95/65/190029565.db2.gz RODCFULDJWMUPP-CQSZACIVSA-N 1 1 259.378 3.184 40 0 CGABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000257328694 190034512 /nfs/dbraw/zinc/03/45/12/190034512.db2.gz XGSQBABSSZEUOF-CYBMUJFWSA-N 1 1 275.421 3.170 40 0 CGABMO CC(C)[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC000096252366 256834661 /nfs/dbraw/zinc/83/46/61/256834661.db2.gz LAIHOXZBKWFWIF-OCZCAGDBSA-N 1 1 290.382 3.131 40 0 CGABMO CC[C@@]12CC[C@H](O)[C@@H]1[N@@H+](C)CC[C@@H]2Sc1ccccc1 ZINC000001613164 391913631 /nfs/dbraw/zinc/91/36/31/391913631.db2.gz KXKOAQZKAXUINI-QAETUUGQSA-N 1 1 291.460 3.403 40 0 CGABMO Cc1cc(N)[nH+]cc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072218529 392200591 /nfs/dbraw/zinc/20/05/91/392200591.db2.gz FOFZFTIESPVZQT-CYBMUJFWSA-N 1 1 291.395 3.434 40 0 CGABMO O[C@@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC000004934826 170042359 /nfs/dbraw/zinc/04/23/59/170042359.db2.gz OCUJINLGKRDHSJ-ZOBUZTSGSA-N 1 1 259.393 3.232 40 0 CGABMO CC[C@H](OC[C@H](O)C[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000006355951 170195315 /nfs/dbraw/zinc/19/53/15/170195315.db2.gz KZUCROJGSXJBCA-JQHSSLGASA-N 1 1 291.435 3.390 40 0 CGABMO COc1cc2c(cc1OC)CC1(C2)c2ccccc2C[N@@H+]1C ZINC000008306551 170329781 /nfs/dbraw/zinc/32/97/81/170329781.db2.gz QFRUIQRPMFUFRF-UHFFFAOYSA-N 1 1 295.382 3.143 40 0 CGABMO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCN(C)C ZINC000022074928 171352157 /nfs/dbraw/zinc/35/21/57/171352157.db2.gz SVODFKKTVANHKF-UHFFFAOYSA-N 1 1 291.222 3.043 40 0 CGABMO C[C@@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000022119770 171353443 /nfs/dbraw/zinc/35/34/43/171353443.db2.gz BUAMSSPNELFEHH-RXMQYKEDSA-N 1 1 258.108 3.063 40 0 CGABMO CCC(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044853170 175265913 /nfs/dbraw/zinc/26/59/13/175265913.db2.gz SAFGDFRLFARRRS-UHFFFAOYSA-N 1 1 285.391 3.158 40 0 CGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 ZINC000044914447 175276405 /nfs/dbraw/zinc/27/64/05/175276405.db2.gz PZEHTZLMJIMEGY-AWEZNQCLSA-N 1 1 297.402 3.112 40 0 CGABMO Clc1ccc2c(c1)N[C@H](c1ccccn1)N1CCC[NH+]=C21 ZINC000072342097 176371428 /nfs/dbraw/zinc/37/14/28/176371428.db2.gz MWZUJLGEZHXOHT-INIZCTEOSA-N 1 1 298.777 3.312 40 0 CGABMO C[N@H+]1CC[C@@H](NCc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000072341603 176371680 /nfs/dbraw/zinc/37/16/80/176371680.db2.gz MGDXGLUHKKGPKT-PKOBYXMFSA-N 1 1 298.405 3.403 40 0 CGABMO CN1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000072341603 176371682 /nfs/dbraw/zinc/37/16/82/176371682.db2.gz MGDXGLUHKKGPKT-PKOBYXMFSA-N 1 1 298.405 3.403 40 0 CGABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355680 176375112 /nfs/dbraw/zinc/37/51/12/176375112.db2.gz IHTGEFZCTQGWLD-OAHLLOKOSA-N 1 1 298.434 3.418 40 0 CGABMO c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072369379 176384103 /nfs/dbraw/zinc/38/41/03/176384103.db2.gz UENOFHWEAKCOTM-CQSZACIVSA-N 1 1 292.386 3.338 40 0 CGABMO CCC(=O)Nc1cc([NH+]2C[C@@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216865512 262341021 /nfs/dbraw/zinc/34/10/21/262341021.db2.gz AYPIJOQNRJSDTE-RYUDHWBXSA-N 1 1 289.423 3.408 40 0 CGABMO c1ccc(C[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccn4)C[C@H]23)nc1 ZINC000257328111 275067243 /nfs/dbraw/zinc/06/72/43/275067243.db2.gz XEFIZUABZKBKJH-GPMSIDNRSA-N 1 1 293.414 3.177 40 0 CGABMO C[N@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214364 277066135 /nfs/dbraw/zinc/06/61/35/277066135.db2.gz RHKKJLHWVJMMLN-GFCCVEGCSA-N 1 1 277.368 3.195 40 0 CGABMO CC(C)n1nccc1-c1nccnc1[C@H]1CCC[N@H+]1C(C)C ZINC000257207651 278149880 /nfs/dbraw/zinc/14/98/80/278149880.db2.gz BIQBVCJYFUWIEV-CQSZACIVSA-N 1 1 299.422 3.466 40 0 CGABMO CC[NH+](CC)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000005034162 279091683 /nfs/dbraw/zinc/09/16/83/279091683.db2.gz LHDCIPAKGLJYSI-HEHGZKQESA-N 1 1 267.413 3.086 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCC[C@H]32)C1 ZINC000218849900 333137267 /nfs/dbraw/zinc/13/72/67/333137267.db2.gz RUBZSLWQDHSQAX-ZJPYXAASSA-N 1 1 292.467 3.083 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCC[C@H]32)C1 ZINC000218849900 333137269 /nfs/dbraw/zinc/13/72/69/333137269.db2.gz RUBZSLWQDHSQAX-ZJPYXAASSA-N 1 1 292.467 3.083 40 0 CGABMO Cc1[nH+]cn(-c2ccc(I)cc2)c1C ZINC000225793286 333182596 /nfs/dbraw/zinc/18/25/96/333182596.db2.gz JUSKZDGFLZOLAC-UHFFFAOYSA-N 1 1 298.127 3.094 40 0 CGABMO CCCCC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000096081103 185090797 /nfs/dbraw/zinc/09/07/97/185090797.db2.gz LGYBKSOLYCPIFF-ROUUACIJSA-N 1 1 272.436 3.240 40 0 CGABMO CCC(CC)C[N@H+]1CCC[C@]2(CN([C@@H](C)CC)C2=O)C1 ZINC000585099347 346724494 /nfs/dbraw/zinc/72/44/94/346724494.db2.gz GVYAVJMIJQXTLN-WMLDXEAASA-N 1 1 280.456 3.146 40 0 CGABMO Fc1cccc(F)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121284153 370848050 /nfs/dbraw/zinc/84/80/50/370848050.db2.gz RWXWFBRLKRIMNI-LLVKDONJSA-N 1 1 277.318 3.068 40 0 CGABMO Nc1[nH+]cnc2c1ccn2Cc1c(Cl)cccc1Cl ZINC000001578383 368420812 /nfs/dbraw/zinc/42/08/12/368420812.db2.gz NPKBVDNRWRHKJZ-UHFFFAOYSA-N 1 1 293.157 3.369 40 0 CGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccoc1)Cc1ccncc1 ZINC000022913926 368814476 /nfs/dbraw/zinc/81/44/76/368814476.db2.gz RFIBVJAMPOYDAI-SFHVURJKSA-N 1 1 299.418 3.161 40 0 CGABMO COc1ccc(Oc2cc3c(cc2OC)CC[N@@H+](C)C3)cc1 ZINC000031949589 368921322 /nfs/dbraw/zinc/92/13/22/368921322.db2.gz PDTJAZZTDGSHCL-UHFFFAOYSA-N 1 1 299.370 3.484 40 0 CGABMO COc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCC4)C3)o2)cc1 ZINC000049170097 369390906 /nfs/dbraw/zinc/39/09/06/369390906.db2.gz WVXCRXZSHLMJJY-ZDUSSCGKSA-N 1 1 299.374 3.087 40 0 biogenic,in-vitro CGABMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000067801148 369730584 /nfs/dbraw/zinc/73/05/84/369730584.db2.gz LTVAXKIZYRUIFE-HNNXBMFYSA-N 1 1 290.407 3.094 40 0 CGABMO Cc1cc([C@@H]2CCCC[N@@H+]2C(C)C)cnc1N(C)C ZINC000072218640 369815819 /nfs/dbraw/zinc/81/58/19/369815819.db2.gz WYHKEXVPBHEUJL-HNNXBMFYSA-N 1 1 261.413 3.391 40 0 CGABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)c1 ZINC000072227433 369817074 /nfs/dbraw/zinc/81/70/74/369817074.db2.gz AEIHWHJHLOUVTG-CABCVRRESA-N 1 1 286.762 3.064 40 0 CGABMO CC(C)n1nccc1C[N@H+]1CCC[C@@H](Cc2ccccn2)C1 ZINC000257237412 190018021 /nfs/dbraw/zinc/01/80/21/190018021.db2.gz HGITYINOHXVACX-INIZCTEOSA-N 1 1 298.434 3.314 40 0 CGABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257264011 190022468 /nfs/dbraw/zinc/02/24/68/190022468.db2.gz LSLMMKUJHAOENL-MRXNPFEDSA-N 1 1 267.376 3.165 40 0 CGABMO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cscn3)C2)cn1 ZINC000257280679 190025862 /nfs/dbraw/zinc/02/58/62/190025862.db2.gz OLWKENKRXUSWNF-HNNXBMFYSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cscn3)C2)cn1 ZINC000257280679 190025863 /nfs/dbraw/zinc/02/58/63/190025863.db2.gz OLWKENKRXUSWNF-HNNXBMFYSA-N 1 1 287.432 3.301 40 0 CGABMO C[N@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000334270678 206286709 /nfs/dbraw/zinc/28/67/09/206286709.db2.gz STSLSMOJBBRHHI-SNVBAGLBSA-N 1 1 297.280 3.175 40 0 CGABMO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)s1 ZINC000257305538 190031229 /nfs/dbraw/zinc/03/12/29/190031229.db2.gz SQMHFJOEPQPRQD-OAHLLOKOSA-N 1 1 274.389 3.025 40 0 CGABMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)s1 ZINC000257305538 190031230 /nfs/dbraw/zinc/03/12/30/190031230.db2.gz SQMHFJOEPQPRQD-OAHLLOKOSA-N 1 1 274.389 3.025 40 0 CGABMO COCC[C@@H]1CCOC2(C[NH+](Cc3ccccc3C)C2)C1 ZINC000248170839 377274774 /nfs/dbraw/zinc/27/47/74/377274774.db2.gz WCEXESBLMBWCGO-MRXNPFEDSA-N 1 1 289.419 3.013 40 0 CGABMO C[N@H+]1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000000002433 169503593 /nfs/dbraw/zinc/50/35/93/169503593.db2.gz JAQUASYNZVUNQP-XIRDDKMYSA-N 1 1 257.377 3.080 40 0 CGABMO CC(C)N(c1ncccc1[C@H]1CCC[N@H+]1C)C(C)C ZINC000072213002 392198996 /nfs/dbraw/zinc/19/89/96/392198996.db2.gz MSGPOCXYMABHCC-OAHLLOKOSA-N 1 1 261.413 3.472 40 0 CGABMO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cc1 ZINC000072384973 392205624 /nfs/dbraw/zinc/20/56/24/392205624.db2.gz GGBIGZHYLOLQAS-INIZCTEOSA-N 1 1 271.339 3.343 40 0 CGABMO Fc1ccc(C[N@H+]2CCCC[C@H]2c2ccncn2)cc1 ZINC000072384973 392205628 /nfs/dbraw/zinc/20/56/28/392205628.db2.gz GGBIGZHYLOLQAS-INIZCTEOSA-N 1 1 271.339 3.343 40 0 CGABMO C[C@@H]1C[C@H]([N@@H+]2CCn3c(cc4ccccc43)C2)CCO1 ZINC000335403201 392792015 /nfs/dbraw/zinc/79/20/15/392792015.db2.gz IIOAARLGFNQHFY-UKRRQHHQSA-N 1 1 270.376 3.024 40 0 CGABMO C[C@@H]1C[C@H]([N@H+]2CCn3c(cc4ccccc43)C2)CCO1 ZINC000335403201 392792024 /nfs/dbraw/zinc/79/20/24/392792024.db2.gz IIOAARLGFNQHFY-UKRRQHHQSA-N 1 1 270.376 3.024 40 0 CGABMO C[N@H+]1CCO[C@@H](c2ccccc2)c2ccsc2CC1 ZINC000001607889 397602618 /nfs/dbraw/zinc/60/26/18/397602618.db2.gz JEJCTUDPUWAFQR-INIZCTEOSA-N 1 1 273.401 3.342 40 0 CGABMO O=Cc1ccccc1OCCC[N@H+]1CCc2ccccc2C1 ZINC000008731582 170351227 /nfs/dbraw/zinc/35/12/27/170351227.db2.gz OXBBVAVTQXVNIS-UHFFFAOYSA-N 1 1 295.382 3.326 40 0 CGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCOc2cccc(C=O)c2)C1 ZINC000009261545 170369579 /nfs/dbraw/zinc/36/95/79/170369579.db2.gz KJBAYMCRJXSYAF-GASCZTMLSA-N 1 1 275.392 3.246 40 0 CGABMO Cc1ccc2oc([C@H]3CC[N@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000035446501 172203149 /nfs/dbraw/zinc/20/31/49/172203149.db2.gz QIDWFYOTHFTHPJ-AWEZNQCLSA-N 1 1 299.418 3.020 40 0 biogenic,in-vitro CGABMO CC[C@@H](C)[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441212 173211182 /nfs/dbraw/zinc/21/11/82/173211182.db2.gz PURFUQMZTZSMDZ-RDDDGLTNSA-N 1 1 282.185 3.371 40 0 CGABMO c1cnc2[nH]c(C3CCCC3)c(C[NH+]3CCOCC3)c2c1 ZINC000072393343 176394572 /nfs/dbraw/zinc/39/45/72/176394572.db2.gz VRDWQYUMGWYZRR-UHFFFAOYSA-N 1 1 285.391 3.053 40 0 CGABMO c1ccc2c(c1)cc[nH+]c2NC[C@@H]1CC12CCOCC2 ZINC000527970289 270147405 /nfs/dbraw/zinc/14/74/05/270147405.db2.gz XTHYXQLUHIUPHI-AWEZNQCLSA-N 1 1 268.360 3.463 40 0 CGABMO COc1cc2c3c(c1O)-c1ccccc1C[C@@H]3[N@H+](C)CC2 ZINC000000338130 274102619 /nfs/dbraw/zinc/10/26/19/274102619.db2.gz YXVXMURDCBMPRH-AWEZNQCLSA-N 1 1 281.355 3.153 40 0 biogenic,in-vitro CGABMO COc1cc2c3c(c1O)-c1ccccc1C[C@@H]3[N@@H+](C)CC2 ZINC000000338130 274102622 /nfs/dbraw/zinc/10/26/22/274102622.db2.gz YXVXMURDCBMPRH-AWEZNQCLSA-N 1 1 281.355 3.153 40 0 biogenic,in-vitro CGABMO Cc1ccc(C2=C3C(=[NH+]C4CC4)NC=N[C@@H]3SC2)cc1 ZINC000057369706 274739000 /nfs/dbraw/zinc/73/90/00/274739000.db2.gz CGZSUYKZBZRKMI-GDBMZVCRSA-N 1 1 283.400 3.217 40 0 CGABMO CC(=O)N1CCCC[C@H]1c1ccc(N2CCCC2)[nH+]c1C ZINC000072218954 275449821 /nfs/dbraw/zinc/44/98/21/275449821.db2.gz PSOALTCAJYYSBY-INIZCTEOSA-N 1 1 287.407 3.064 40 0 CGABMO CC[NH+](CC)[C@@H](CN)c1c(OC)ccc2ccccc21 ZINC000032048925 276113019 /nfs/dbraw/zinc/11/30/19/276113019.db2.gz JPFBOHIEDJVHJK-HNNXBMFYSA-N 1 1 272.392 3.190 40 0 CGABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215985 277394850 /nfs/dbraw/zinc/39/48/50/277394850.db2.gz ABSHMSGHPWZMCK-MRXNPFEDSA-N 1 1 273.424 3.475 40 0 CGABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1ccccc1C=O ZINC000217788947 533826369 /nfs/dbraw/zinc/82/63/69/533826369.db2.gz LLYHIUZFISPJLE-OKILXGFUSA-N 1 1 261.365 3.141 40 0 CGABMO CO[C@@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1Cc1ccccc1 ZINC000096110149 185100980 /nfs/dbraw/zinc/10/09/80/185100980.db2.gz BKKRTDWFNHLACX-FUHWJXTLSA-N 1 1 285.387 3.359 40 0 CGABMO C[NH2+]CCCNc1cc(C)nc2ccc(Cl)cc21 ZINC000222687514 529971497 /nfs/dbraw/zinc/97/14/97/529971497.db2.gz ZLFVDNGJYWRVOQ-UHFFFAOYSA-N 1 1 263.772 3.218 40 0 CGABMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)c[nH]c1=O ZINC000072217984 345406428 /nfs/dbraw/zinc/40/64/28/345406428.db2.gz XWCWQQWEYDGEQO-QGZVFWFLSA-N 1 1 282.387 3.411 40 0 CGABMO CCCCCC[NH2+]C[C@@H]1CCCN2CCCC[C@@H]12 ZINC000584905917 346723973 /nfs/dbraw/zinc/72/39/73/346723973.db2.gz MZQULUHGEYIEKD-HOTGVXAUSA-N 1 1 252.446 3.421 40 0 CGABMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000352296530 219398292 /nfs/dbraw/zinc/39/82/92/219398292.db2.gz FKUQXBXCEVGEIP-MRXNPFEDSA-N 1 1 287.382 3.373 40 0 CGABMO CCCC[C@@H](c1ccc(F)cc1)N1CCC([NH3+])CC1 ZINC000013998360 368671932 /nfs/dbraw/zinc/67/19/32/368671932.db2.gz OMDYWRPENFFNSI-INIZCTEOSA-N 1 1 264.388 3.480 40 0 CGABMO CCCC[N@@H+]1CC=C(c2nc3ccccc3[nH]2)CC1 ZINC000226250875 189770546 /nfs/dbraw/zinc/77/05/46/189770546.db2.gz ZASSKHCZHLHDOP-UHFFFAOYSA-N 1 1 255.365 3.452 40 0 CGABMO CC(C)C[N@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169333 369390864 /nfs/dbraw/zinc/39/08/64/369390864.db2.gz UJVSARQNBQUKMT-AWEZNQCLSA-N 1 1 271.364 3.182 40 0 biogenic,in-vitro CGABMO c1ccc(-c2nnc([C@H]3CC[N@H+](C4CCC4)C3)o2)cc1 ZINC000049169302 369391110 /nfs/dbraw/zinc/39/11/10/369391110.db2.gz YSVNOGVTKNWMOR-ZDUSSCGKSA-N 1 1 269.348 3.078 40 0 biogenic,in-vitro CGABMO OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000049750861 369415547 /nfs/dbraw/zinc/41/55/47/369415547.db2.gz BQAILLXPFQMCTH-LLVKDONJSA-N 1 1 274.191 3.340 40 0 CGABMO OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000049750861 369415549 /nfs/dbraw/zinc/41/55/49/369415549.db2.gz BQAILLXPFQMCTH-LLVKDONJSA-N 1 1 274.191 3.340 40 0 CGABMO C[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216117 369815929 /nfs/dbraw/zinc/81/59/29/369815929.db2.gz JWFXCMCTMMMFFT-HNNXBMFYSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000072227471 369817826 /nfs/dbraw/zinc/81/78/26/369817826.db2.gz VAIMTZZLMMOZAL-GJZGRUSLSA-N 1 1 286.762 3.064 40 0 CGABMO CCC[N@H+]1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC000096263808 370208322 /nfs/dbraw/zinc/20/83/22/370208322.db2.gz FGGDANXRQPEKKH-CABCVRRESA-N 1 1 281.403 3.069 40 0 CGABMO Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2ccccn2)ccn1 ZINC000257204189 190011302 /nfs/dbraw/zinc/01/13/02/190011302.db2.gz ATLCTGFJFXGTOW-SFHVURJKSA-N 1 1 281.403 3.382 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@H](Cc3ccccn3)C2)cn1 ZINC000257281719 190026455 /nfs/dbraw/zinc/02/64/55/190026455.db2.gz OQQIRDJEAJRSAD-MRXNPFEDSA-N 1 1 281.403 3.240 40 0 CGABMO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC000257273104 190024659 /nfs/dbraw/zinc/02/46/59/190024659.db2.gz NFHHZZCZMDPTLL-CYBMUJFWSA-N 1 1 259.378 3.184 40 0 CGABMO COc1ccc(Cc2cnc([C@@H]3CCC[N@@H+]3C)o2)cc1 ZINC000257314472 190032403 /nfs/dbraw/zinc/03/24/03/190032403.db2.gz UXDVFPCQHZYKPZ-HNNXBMFYSA-N 1 1 272.348 3.041 40 0 CGABMO COc1ccc(Cc2cnc([C@@H]3CCC[N@H+]3C)o2)cc1 ZINC000257314472 190032404 /nfs/dbraw/zinc/03/24/04/190032404.db2.gz UXDVFPCQHZYKPZ-HNNXBMFYSA-N 1 1 272.348 3.041 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1N ZINC000242463366 376781610 /nfs/dbraw/zinc/78/16/10/376781610.db2.gz CZDFEEUDCHNUSS-XLMAVXFVSA-N 1 1 288.435 3.154 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H]1[NH3+] ZINC000242463366 376781618 /nfs/dbraw/zinc/78/16/18/376781618.db2.gz CZDFEEUDCHNUSS-XLMAVXFVSA-N 1 1 288.435 3.154 40 0 CGABMO CC[N@H+]1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218791 285262100 /nfs/dbraw/zinc/26/21/00/285262100.db2.gz ALAPJRHGXIUCQB-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO CC[NH+](CC)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424725 391980742 /nfs/dbraw/zinc/98/07/42/391980742.db2.gz FCCCJDOXKLNBGS-LBPRGKRZSA-N 1 1 261.196 3.335 40 0 CGABMO CC[N@@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211570 392197545 /nfs/dbraw/zinc/19/75/45/392197545.db2.gz FNBIMNXIIPYWKZ-NSHDSACASA-N 1 1 269.186 3.391 40 0 CGABMO CC[N@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211570 392197547 /nfs/dbraw/zinc/19/75/47/392197547.db2.gz FNBIMNXIIPYWKZ-NSHDSACASA-N 1 1 269.186 3.391 40 0 CGABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212679 392198802 /nfs/dbraw/zinc/19/88/02/392198802.db2.gz QBNYAUNNSDGZPE-HNNXBMFYSA-N 1 1 261.413 3.331 40 0 CGABMO CCN(C)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072212737 392198862 /nfs/dbraw/zinc/19/88/62/392198862.db2.gz UEAFOKQDTMUAPA-OAHLLOKOSA-N 1 1 261.413 3.473 40 0 CGABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(CC)CC ZINC000072212898 392199130 /nfs/dbraw/zinc/19/91/30/392199130.db2.gz YQUSGMJNBUFRLP-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)cc1 ZINC000095534143 392244107 /nfs/dbraw/zinc/24/41/07/392244107.db2.gz CQSJHQZEVHMITD-OAHLLOKOSA-N 1 1 278.359 3.137 40 0 CGABMO C[N@@H+]1C=CC=C/C1=C/C=C1/C=NN=C1c1cccs1 ZINC000334139390 392706510 /nfs/dbraw/zinc/70/65/10/392706510.db2.gz QUNMCLWTMVSHGC-AJDRMPRJSA-N 1 1 267.357 3.362 40 0 CGABMO C[N@H+]1C=CC=C/C1=C/C=C1/C=NN=C1c1cccs1 ZINC000334139390 392706518 /nfs/dbraw/zinc/70/65/18/392706518.db2.gz QUNMCLWTMVSHGC-AJDRMPRJSA-N 1 1 267.357 3.362 40 0 CGABMO Clc1ccc(-c2nc([C@H]3CCCC[NH2+]3)no2)cc1 ZINC000040443329 397610909 /nfs/dbraw/zinc/61/09/09/397610909.db2.gz RSZCYMLVVAMPQW-LLVKDONJSA-N 1 1 263.728 3.205 40 0 CGABMO COC(=O)[C@](C)(c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000085393515 397641303 /nfs/dbraw/zinc/64/13/03/397641303.db2.gz MMRSEEBTACCPCS-VBQJREDUSA-N 1 1 275.392 3.053 40 0 CGABMO O=C(/C=C/c1ccco1)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005017996 170056288 /nfs/dbraw/zinc/05/62/88/170056288.db2.gz NXLHVPKRTYHUOA-MOIGAOQCSA-N 1 1 289.375 3.101 40 0 CGABMO CCC[N@@H+](C)C[C@H](C)Nc1cc(OC)cc2cccnc21 ZINC000005838694 170145284 /nfs/dbraw/zinc/14/52/84/170145284.db2.gz KQLLLBJAONQNGY-ZDUSSCGKSA-N 1 1 287.407 3.386 40 0 CGABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](CC(C)C)C3)nc2c1 ZINC000035446769 172203099 /nfs/dbraw/zinc/20/30/99/172203099.db2.gz USFQGFIEQGPRIZ-LBPRGKRZSA-N 1 1 273.380 3.017 40 0 biogenic,in-vitro CGABMO COc1ccc2nc([C@H]3CC[N@H+](CC(C)C)C3)[nH]c2c1 ZINC000035446769 172203104 /nfs/dbraw/zinc/20/31/04/172203104.db2.gz USFQGFIEQGPRIZ-LBPRGKRZSA-N 1 1 273.380 3.017 40 0 biogenic,in-vitro CGABMO COc1ccc2nc([C@H]3CC[N@@H+](CC(C)C)C3)[nH]c2c1 ZINC000035446769 172203107 /nfs/dbraw/zinc/20/31/07/172203107.db2.gz USFQGFIEQGPRIZ-LBPRGKRZSA-N 1 1 273.380 3.017 40 0 biogenic,in-vitro CGABMO Cc1cccc(Nc2cc(C)nc([C@H]3CCC[N@H+](C)C3)n2)n1 ZINC000072359944 176376981 /nfs/dbraw/zinc/37/69/81/176376981.db2.gz PLYRWKFUGQZMGC-AWEZNQCLSA-N 1 1 297.406 3.041 40 0 CGABMO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1n[nH]cc1C ZINC000072363816 176378549 /nfs/dbraw/zinc/37/85/49/176378549.db2.gz MVVADVOSMBMZKE-CQSZACIVSA-N 1 1 271.364 3.064 40 0 CGABMO COc1ccccc1C[N@H+]1CCC[C@@H]1c1n[nH]cc1C ZINC000072363816 176378550 /nfs/dbraw/zinc/37/85/50/176378550.db2.gz MVVADVOSMBMZKE-CQSZACIVSA-N 1 1 271.364 3.064 40 0 CGABMO C[N@H+]1CCCC[C@H]1c1cncc(Cc2ccc(F)cc2)n1 ZINC000072366306 176380924 /nfs/dbraw/zinc/38/09/24/176380924.db2.gz DQZUVAGLYOXOLB-KRWDZBQOSA-N 1 1 285.366 3.363 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000072369522 176384279 /nfs/dbraw/zinc/38/42/79/176384279.db2.gz UDFLNTZPTVBTJH-MRXNPFEDSA-N 1 1 295.386 3.065 40 0 CGABMO Cc1nc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)cs1 ZINC000072386120 176391040 /nfs/dbraw/zinc/39/10/40/176391040.db2.gz YWWKSKMLLWSITG-OAHLLOKOSA-N 1 1 287.432 3.301 40 0 CGABMO CC[NH+](CC)CC(=O)OC[C@@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000004124584 276095453 /nfs/dbraw/zinc/09/54/53/276095453.db2.gz VPZWLSLNRAQCSM-ZNMIVQPWSA-N 1 1 267.413 3.110 40 0 CGABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000072227874 276671792 /nfs/dbraw/zinc/67/17/92/276671792.db2.gz LBXPFPBJTQKSRS-ZWKOTPCHSA-N 1 1 294.398 3.281 40 0 CGABMO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000169303148 278222582 /nfs/dbraw/zinc/22/25/82/278222582.db2.gz TYRBZUUHADCCGQ-KSZLIROESA-N 1 1 287.403 3.339 40 0 CGABMO CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccsc1)C2 ZINC000096039317 185068832 /nfs/dbraw/zinc/06/88/32/185068832.db2.gz LAAKIQNSRBQHRA-JKSUJKDBSA-N 1 1 295.448 3.156 40 0 CGABMO O=C1C[C@]2(CN1c1ccccc1)CCCC[N@H+]2CC1CC1 ZINC000096071667 185086621 /nfs/dbraw/zinc/08/66/21/185086621.db2.gz WZKGQZLELYSGBW-SFHVURJKSA-N 1 1 284.403 3.058 40 0 CGABMO Cc1cc(C)c(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000000167007 344854106 /nfs/dbraw/zinc/85/41/06/344854106.db2.gz RRGHERDNNOVPPF-SJORKVTESA-N 1 1 291.435 3.226 40 0 CGABMO c1cc2n(c1)C[C@@H](CCOCC1CC1)C[N@@H+](C1CCC1)C2 ZINC000585095288 346724355 /nfs/dbraw/zinc/72/43/55/346724355.db2.gz NORALQMJOHNJIF-MRXNPFEDSA-N 1 1 288.435 3.289 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1N ZINC000218885566 376190925 /nfs/dbraw/zinc/19/09/25/376190925.db2.gz CZDFEEUDCHNUSS-BVIKNXMNSA-N 1 1 288.435 3.154 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000218885566 376190932 /nfs/dbraw/zinc/19/09/32/376190932.db2.gz CZDFEEUDCHNUSS-BVIKNXMNSA-N 1 1 288.435 3.154 40 0 CGABMO N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218868355 376191134 /nfs/dbraw/zinc/19/11/34/376191134.db2.gz LXSMCOZCQWTNBZ-TWMKSMIVSA-N 1 1 280.456 3.116 40 0 CGABMO N[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218868535 376191297 /nfs/dbraw/zinc/19/12/97/376191297.db2.gz LXSMCOZCQWTNBZ-HZMVEIRTSA-N 1 1 280.456 3.116 40 0 CGABMO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1N ZINC000218885652 376191502 /nfs/dbraw/zinc/19/15/02/376191502.db2.gz CZDFEEUDCHNUSS-LHHMISFZSA-N 1 1 288.435 3.154 40 0 CGABMO Cc1ccccc1O[C@H]1CCCC[C@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000218885652 376191508 /nfs/dbraw/zinc/19/15/08/376191508.db2.gz CZDFEEUDCHNUSS-LHHMISFZSA-N 1 1 288.435 3.154 40 0 CGABMO Cc1[nH+]ccn1C[C@@H](O)COc1cc(C(C)C)ccc1C ZINC000027332968 368870142 /nfs/dbraw/zinc/87/01/42/368870142.db2.gz SOAUSPBZKNMATF-MRXNPFEDSA-N 1 1 288.391 3.063 40 0 CGABMO CC[C@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036092695 369007731 /nfs/dbraw/zinc/00/77/31/369007731.db2.gz NRJIKAHGLFNCAB-GJZGRUSLSA-N 1 1 288.435 3.447 40 0 CGABMO Cc1ccc(C)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000046959976 369301644 /nfs/dbraw/zinc/30/16/44/369301644.db2.gz VVDACMDUKYEGKS-OAHLLOKOSA-N 1 1 288.435 3.155 40 0 CGABMO c1ccc(Cc2nnc([C@H]3CC[N@H+](C4CCC4)C3)o2)cc1 ZINC000049169813 369390652 /nfs/dbraw/zinc/39/06/52/369390652.db2.gz VNIFENYSAYWLNF-AWEZNQCLSA-N 1 1 283.375 3.002 40 0 biogenic,in-vitro CGABMO c1cc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)co1 ZINC000096216626 370209145 /nfs/dbraw/zinc/20/91/45/370209145.db2.gz ZXEMTJHLKFXPOH-GOSISDBHSA-N 1 1 297.402 3.167 40 0 CGABMO C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000144052336 371515891 /nfs/dbraw/zinc/51/58/91/371515891.db2.gz JCDMREVIWJQGLS-QAPCUYQASA-N 1 1 296.414 3.209 40 0 CGABMO Cc1ccsc1C[N@@H+]1CC[C@H](c2n[nH]cc2C)C1 ZINC000257231545 190016206 /nfs/dbraw/zinc/01/62/06/190016206.db2.gz GHFDYIHGKHNOEK-LBPRGKRZSA-N 1 1 261.394 3.078 40 0 CGABMO CCN(C)[C@H]1C[N@@H+](CC2CC2)C2(C1)CCCCC2 ZINC000257242211 190018897 /nfs/dbraw/zinc/01/88/97/190018897.db2.gz IBNMUPSKSRMMHL-OAHLLOKOSA-N 1 1 250.430 3.125 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)cn1 ZINC000257263304 190022665 /nfs/dbraw/zinc/02/26/65/190022665.db2.gz LPFISWWMKMZSIZ-GOSISDBHSA-N 1 1 281.403 3.382 40 0 CGABMO c1c[nH]c(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)n1 ZINC000257304368 190030389 /nfs/dbraw/zinc/03/03/89/190030389.db2.gz SLHWDSHDGVSENU-AWEZNQCLSA-N 1 1 292.386 3.023 40 0 CGABMO c1nc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)cs1 ZINC000257302408 190030496 /nfs/dbraw/zinc/03/04/96/190030496.db2.gz SCVUSRDXYREUDZ-HNNXBMFYSA-N 1 1 273.405 3.135 40 0 CGABMO Nc1cccc(OC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000575423511 377907547 /nfs/dbraw/zinc/90/75/47/377907547.db2.gz OJRFXDKTTSMNFC-QGZVFWFLSA-N 1 1 282.387 3.312 40 0 CGABMO O=c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000072212246 392197046 /nfs/dbraw/zinc/19/70/46/392197046.db2.gz LAJNOAGYWCATFQ-HNNXBMFYSA-N 1 1 254.333 3.124 40 0 CGABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@@H]1CCCCN1C=O ZINC000072219252 392200039 /nfs/dbraw/zinc/20/00/39/392200039.db2.gz XLFLTZWUQPFXCL-INIZCTEOSA-N 1 1 287.407 3.064 40 0 CGABMO CNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c(C)[nH+]1 ZINC000072219108 392200392 /nfs/dbraw/zinc/20/03/92/392200392.db2.gz HXWJHJSUADSUAO-MRXNPFEDSA-N 1 1 295.386 3.409 40 0 CGABMO CCNc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C)n1 ZINC000329055334 392677209 /nfs/dbraw/zinc/67/72/09/392677209.db2.gz VMUMHVSQNCFUKG-GFCCVEGCSA-N 1 1 282.391 3.168 40 0 CGABMO COC(=O)/C(=C/c1ccccc1)C[N@H+]1CCCC[C@H]1C ZINC000006488214 170205262 /nfs/dbraw/zinc/20/52/62/170205262.db2.gz CYTSEDNEUSSRPV-RGHBXIHOSA-N 1 1 273.376 3.117 40 0 CGABMO C[C@@H](CCCO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000006487127 170205372 /nfs/dbraw/zinc/20/53/72/170205372.db2.gz BZUKCXDUDOUBKN-JTQLQIEISA-N 1 1 264.756 3.461 40 0 in-vitro CGABMO Fc1ccc2oc([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446911 172202825 /nfs/dbraw/zinc/20/28/25/172202825.db2.gz GWQKYGUCUMMEBY-LBPRGKRZSA-N 1 1 297.333 3.351 40 0 biogenic,in-vitro CGABMO CC(C)C[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441122 173210257 /nfs/dbraw/zinc/21/02/57/173210257.db2.gz WKHWVBBIIZLYIH-SECBINFHSA-N 1 1 282.185 3.371 40 0 CGABMO c1cn(-c2cccc([C@H]3CCC[N@@H+]3C3CCCC3)n2)cn1 ZINC000072355518 176374649 /nfs/dbraw/zinc/37/46/49/176374649.db2.gz DVEOHQCMAZLYHO-MRXNPFEDSA-N 1 1 282.391 3.347 40 0 CGABMO c1cc2cc(C[C@@H]3CC[N@@H+](Cc4ccncc4)C3)cnc2[nH]1 ZINC000072367622 176382793 /nfs/dbraw/zinc/38/27/93/176382793.db2.gz CNIFZQZGSSJELU-HNNXBMFYSA-N 1 1 292.386 3.023 40 0 CGABMO Cc1cncc([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)n1 ZINC000072369406 176384238 /nfs/dbraw/zinc/38/42/38/176384238.db2.gz FTVVUQPQVGUCMQ-CQSZACIVSA-N 1 1 273.405 3.226 40 0 CGABMO Clc1ccc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000072381580 176387549 /nfs/dbraw/zinc/38/75/49/176387549.db2.gz MJHFNQHUYKJNAD-GFCCVEGCSA-N 1 1 261.756 3.053 40 0 CGABMO c1ccc(C[N@@H+]2CCc3[nH]c4cccnc4c3C2)cc1 ZINC000091244417 275066989 /nfs/dbraw/zinc/06/69/89/275066989.db2.gz RBTHDWXPKQPJDQ-UHFFFAOYSA-N 1 1 263.344 3.121 40 0 CGABMO c1ccc(C[N@H+]2CCc3[nH]c4cccnc4c3C2)cc1 ZINC000091244417 275066990 /nfs/dbraw/zinc/06/69/90/275066990.db2.gz RBTHDWXPKQPJDQ-UHFFFAOYSA-N 1 1 263.344 3.121 40 0 CGABMO c1ccc(C[NH+](Cc2ccccc2)CC2OCCO2)cc1 ZINC000122124663 230394394 /nfs/dbraw/zinc/39/43/94/230394394.db2.gz GQSJEDYCPTUCIR-UHFFFAOYSA-N 1 1 283.371 3.062 40 0 CGABMO Cc1ccc(-c2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000095534910 185008608 /nfs/dbraw/zinc/00/86/08/185008608.db2.gz QIHJHCWMAQBENW-OAHLLOKOSA-N 1 1 278.359 3.023 40 0 CGABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218759 283322197 /nfs/dbraw/zinc/32/21/97/283322197.db2.gz CDMROGOMACUMHY-HNNXBMFYSA-N 1 1 261.413 3.393 40 0 CGABMO CCc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000000064540 368281028 /nfs/dbraw/zinc/28/10/28/368281028.db2.gz VMDAXPFTCFMPFN-HLLBOEOZSA-N 1 1 291.435 3.252 40 0 CGABMO CC1=C[C@@H](C)[C@H](COC(=O)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000004031311 368527493 /nfs/dbraw/zinc/52/74/93/368527493.db2.gz UUJZAPVGHSXVSM-OAGGEKHMSA-N 1 1 279.424 3.254 40 0 CGABMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012169981 368605437 /nfs/dbraw/zinc/60/54/37/368605437.db2.gz GUZAMDMFRDCEJA-JKIFEVAISA-N 1 1 291.435 3.021 40 0 CGABMO COc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000019287505 368748473 /nfs/dbraw/zinc/74/84/73/368748473.db2.gz JNUZQINHAODLSY-WMLDXEAASA-N 1 1 295.386 3.055 40 0 CGABMO COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000019287505 368748480 /nfs/dbraw/zinc/74/84/80/368748480.db2.gz JNUZQINHAODLSY-WMLDXEAASA-N 1 1 295.386 3.055 40 0 CGABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1 ZINC000019575136 368757176 /nfs/dbraw/zinc/75/71/76/368757176.db2.gz QNITWHLGUAZIOT-IUODEOHRSA-N 1 1 264.800 3.009 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000067801150 369730112 /nfs/dbraw/zinc/73/01/12/369730112.db2.gz VWLSSVHMGGWIDG-HNNXBMFYSA-N 1 1 290.407 3.094 40 0 CGABMO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)[nH]1 ZINC000331331662 374522888 /nfs/dbraw/zinc/52/28/88/374522888.db2.gz HRLWGKVADSKRBZ-RYUDHWBXSA-N 1 1 258.369 3.142 40 0 CGABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000257235322 190017343 /nfs/dbraw/zinc/01/73/43/190017343.db2.gz GXILLYYBMYGPHW-HNNXBMFYSA-N 1 1 285.366 3.304 40 0 CGABMO c1c[nH]c(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)n1 ZINC000257304369 190030313 /nfs/dbraw/zinc/03/03/13/190030313.db2.gz SLHWDSHDGVSENU-CQSZACIVSA-N 1 1 292.386 3.023 40 0 CGABMO CCC(CC)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000225299521 376301915 /nfs/dbraw/zinc/30/19/15/376301915.db2.gz DMZTYSLMYHBKAQ-UHFFFAOYSA-N 1 1 285.391 3.158 40 0 CGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257308070 377796019 /nfs/dbraw/zinc/79/60/19/377796019.db2.gz TVHKUGPOHVNBKQ-QXCZDIPSSA-N 1 1 284.447 3.223 40 0 CGABMO CCCC(CCC)CCC[C@@H]1COCC[N@H+]1CCO ZINC000031283194 391962310 /nfs/dbraw/zinc/96/23/10/391962310.db2.gz QSFOWAYMMZCQNF-MRXNPFEDSA-N 1 1 271.445 3.066 40 0 in-man CGABMO Cc1cc([C@@H]2CCC[N@@H+]2C)cnc1N1CCCCC1 ZINC000072219145 392199950 /nfs/dbraw/zinc/19/99/50/392199950.db2.gz UGSRPJZBSJGSRI-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1[nH]c(=O)ccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218190 392200082 /nfs/dbraw/zinc/20/00/82/392200082.db2.gz IEAXVUIACKEVQA-MRXNPFEDSA-N 1 1 268.360 3.433 40 0 CGABMO Cc1[nH+]c(N)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072218588 392200198 /nfs/dbraw/zinc/20/01/98/392200198.db2.gz GONLFTJGKXJSDX-ZDUSSCGKSA-N 1 1 291.395 3.434 40 0 CGABMO CCN(CC)c1cc(C)c([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072223265 392202817 /nfs/dbraw/zinc/20/28/17/392202817.db2.gz UWTZKVNEWZENBW-KRWDZBQOSA-N 1 1 270.376 3.318 40 0 CGABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000072228043 392204609 /nfs/dbraw/zinc/20/46/09/392204609.db2.gz WCFWNGQDFGHDJH-ROUUACIJSA-N 1 1 294.398 3.227 40 0 CGABMO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@@H+]1CCC[C@@H](C)C1 ZINC000216864788 392992718 /nfs/dbraw/zinc/99/27/18/392992718.db2.gz UMVVSMBPPBPDNF-GFCCVEGCSA-N 1 1 289.423 3.408 40 0 CGABMO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@H+]1CCC[C@@H](C)C1 ZINC000216864788 392992723 /nfs/dbraw/zinc/99/27/23/392992723.db2.gz UMVVSMBPPBPDNF-GFCCVEGCSA-N 1 1 289.423 3.408 40 0 CGABMO CC(C)(CNCc1ccccc1)C[NH+]1CCCCC1 ZINC000005497178 170104881 /nfs/dbraw/zinc/10/48/81/170104881.db2.gz ZDVSQUZHYJOUOQ-UHFFFAOYSA-N 1 1 260.425 3.288 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCOc1ccc(C=O)cc1 ZINC000020131544 171020133 /nfs/dbraw/zinc/02/01/33/171020133.db2.gz RAPRUKAIXIUSDA-HNNXBMFYSA-N 1 1 261.365 3.142 40 0 CGABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446608 172202906 /nfs/dbraw/zinc/20/29/06/172202906.db2.gz HWSDZIQRRDTDDW-LBPRGKRZSA-N 1 1 296.349 3.087 40 0 biogenic,in-vitro CGABMO Fc1ccc2nc([C@H]3CC[N@H+](Cc4ccccn4)C3)[nH]c2c1 ZINC000035446608 172202909 /nfs/dbraw/zinc/20/29/09/172202909.db2.gz HWSDZIQRRDTDDW-LBPRGKRZSA-N 1 1 296.349 3.087 40 0 biogenic,in-vitro CGABMO Fc1ccc2nc([C@H]3CC[N@@H+](Cc4ccccn4)C3)[nH]c2c1 ZINC000035446608 172202912 /nfs/dbraw/zinc/20/29/12/172202912.db2.gz HWSDZIQRRDTDDW-LBPRGKRZSA-N 1 1 296.349 3.087 40 0 biogenic,in-vitro CGABMO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1C ZINC000072218955 275760803 /nfs/dbraw/zinc/76/08/03/275760803.db2.gz PSOALTCAJYYSBY-MRXNPFEDSA-N 1 1 287.407 3.064 40 0 CGABMO CC[N@@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211625 279275655 /nfs/dbraw/zinc/27/56/55/279275655.db2.gz KDRWNXLCEVSYLS-LLVKDONJSA-N 1 1 269.186 3.391 40 0 CGABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211625 279275656 /nfs/dbraw/zinc/27/56/56/279275656.db2.gz KDRWNXLCEVSYLS-LLVKDONJSA-N 1 1 269.186 3.391 40 0 CGABMO CC[N@H+]1CCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218851 279315470 /nfs/dbraw/zinc/31/54/70/279315470.db2.gz AKWDUUPDZNYMBP-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc(N(C)C)ncc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072218700 301329725 /nfs/dbraw/zinc/32/97/25/301329725.db2.gz GEKBCDMVDFNVKO-HNNXBMFYSA-N 1 1 261.413 3.391 40 0 CGABMO FC(F)(F)CCN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096075227 303113010 /nfs/dbraw/zinc/11/30/10/303113010.db2.gz MXTHSUDIZNJEFW-UHFFFAOYSA-N 1 1 290.373 3.279 40 0 CGABMO [NH3+][C@H](c1nc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534013 185007383 /nfs/dbraw/zinc/00/73/83/185007383.db2.gz RELGPSCXGGLCSE-NSHDSACASA-N 1 1 290.779 3.235 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@H]2[N@H+]2CCN[C@@H]3CCC[C@@H]32)C1 ZINC000225718134 346305234 /nfs/dbraw/zinc/30/52/34/346305234.db2.gz RUBZSLWQDHSQAX-XMTFNYHQSA-N 1 1 292.467 3.083 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@H]2N2CC[NH2+][C@@H]3CCC[C@@H]32)C1 ZINC000225718134 346305239 /nfs/dbraw/zinc/30/52/39/346305239.db2.gz RUBZSLWQDHSQAX-XMTFNYHQSA-N 1 1 292.467 3.083 40 0 CGABMO Cc1csc([C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000019931099 368786841 /nfs/dbraw/zinc/78/68/41/368786841.db2.gz SHNZWQFRANSKBK-SNVBAGLBSA-N 1 1 283.194 3.262 40 0 CGABMO CC[C@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020040346 368795147 /nfs/dbraw/zinc/79/51/47/368795147.db2.gz NRJIKAHGLFNCAB-CABCVRRESA-N 1 1 288.435 3.447 40 0 CGABMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220994 368882197 /nfs/dbraw/zinc/88/21/97/368882197.db2.gz KAPXOOSXFBFSKB-CQSZACIVSA-N 1 1 294.826 3.078 40 0 CGABMO CC(C)C[N@H+]1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169837 369391427 /nfs/dbraw/zinc/39/14/27/369391427.db2.gz DQOWTXYADOSWGF-HNNXBMFYSA-N 1 1 285.391 3.106 40 0 biogenic,in-vitro CGABMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC000055388232 369516397 /nfs/dbraw/zinc/51/63/97/369516397.db2.gz SHJFQCHBHKANBY-CQSZACIVSA-N 1 1 293.407 3.075 40 0 CGABMO Cc1[nH+]c(N)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218557 369815914 /nfs/dbraw/zinc/81/59/14/369815914.db2.gz ICLODOJGVPYNQH-LBPRGKRZSA-N 1 1 277.368 3.044 40 0 CGABMO COc1ccc2c3c1OC1=C[C@H](C)C=C4[C@@H](C2)[N@@H+](C)CC[C@@]134 ZINC000096316436 370210416 /nfs/dbraw/zinc/21/04/16/370210416.db2.gz LUBWAENLSVGGLJ-FRGNPEFRSA-N 1 1 295.382 3.046 40 0 biogenic,in-vitro CGABMO CCNc1cc(N2CCc3ccccc3C2)[nH+]c(C2CC2)n1 ZINC000329064268 374400250 /nfs/dbraw/zinc/40/02/50/374400250.db2.gz XIOPDHISFKUNMX-UHFFFAOYSA-N 1 1 294.402 3.349 40 0 CGABMO Cn1cccc1C[N@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257211002 190011954 /nfs/dbraw/zinc/01/19/54/190011954.db2.gz BXBOLGFLSQZGNJ-INIZCTEOSA-N 1 1 269.392 3.017 40 0 CGABMO Cc1c[nH]c(-c2cc([C@@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257242903 190018344 /nfs/dbraw/zinc/01/83/44/190018344.db2.gz IEQVQIXAXBXMQB-CQSZACIVSA-N 1 1 299.422 3.071 40 0 CGABMO c1cc([C@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)n[nH]1 ZINC000257266775 190023591 /nfs/dbraw/zinc/02/35/91/190023591.db2.gz MEMOXUJABIPTJQ-QGZVFWFLSA-N 1 1 278.359 3.295 40 0 CGABMO c1cc([C@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)n[nH]1 ZINC000257266775 190023592 /nfs/dbraw/zinc/02/35/92/190023592.db2.gz MEMOXUJABIPTJQ-QGZVFWFLSA-N 1 1 278.359 3.295 40 0 CGABMO CC(C)n1nccc1C[N@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257288062 190026914 /nfs/dbraw/zinc/02/69/14/190026914.db2.gz PSQFMJJLHSCDRD-QGZVFWFLSA-N 1 1 298.434 3.456 40 0 CGABMO Cc1cnc(C2(C)CC[NH+](Cc3nccs3)CC2)s1 ZINC000257288915 190027063 /nfs/dbraw/zinc/02/70/63/190027063.db2.gz PWFDZAHJTNGDHL-UHFFFAOYSA-N 1 1 293.461 3.462 40 0 CGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000257339633 190037165 /nfs/dbraw/zinc/03/71/65/190037165.db2.gz ZCOKRDIHXDFCMY-AWEZNQCLSA-N 1 1 287.794 3.428 40 0 CGABMO CC[n+]1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000226774417 376372554 /nfs/dbraw/zinc/37/25/54/376372554.db2.gz OUODKWNJVVHDPL-UHFFFAOYSA-N 1 1 258.732 3.191 40 0 CGABMO C[N@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212065 392197613 /nfs/dbraw/zinc/19/76/13/392197613.db2.gz VGQAMJJNAUPNBL-INIZCTEOSA-N 1 1 268.360 3.427 40 0 CGABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C)CC ZINC000072212781 392198821 /nfs/dbraw/zinc/19/88/21/392198821.db2.gz OBVGXDJLIUFHJE-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO CCN(CC)c1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072212912 392199091 /nfs/dbraw/zinc/19/90/91/392199091.db2.gz ICHUSEGNFSNMCK-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO CCOCc1cncc2c1CC[N@H+](Cc1cccs1)C2 ZINC000096189306 392246487 /nfs/dbraw/zinc/24/64/87/392246487.db2.gz NSONGHFEKOBAIZ-UHFFFAOYSA-N 1 1 288.416 3.238 40 0 CGABMO CCOCc1cncc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000096189306 392246490 /nfs/dbraw/zinc/24/64/90/392246490.db2.gz NSONGHFEKOBAIZ-UHFFFAOYSA-N 1 1 288.416 3.238 40 0 CGABMO Cc1c[nH]c([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000257322721 393135870 /nfs/dbraw/zinc/13/58/70/393135870.db2.gz WHBPUFFQYPDWHQ-OAHLLOKOSA-N 1 1 289.354 3.073 40 0 CGABMO Cc1c[nH]c([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000257322721 393135880 /nfs/dbraw/zinc/13/58/80/393135880.db2.gz WHBPUFFQYPDWHQ-OAHLLOKOSA-N 1 1 289.354 3.073 40 0 CGABMO O[C@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1cccs1 ZINC000004934819 170042307 /nfs/dbraw/zinc/04/23/07/170042307.db2.gz NTSRPUIASHVFML-MELADBBJSA-N 1 1 265.422 3.294 40 0 CGABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccccc1C=O ZINC000008731551 170351293 /nfs/dbraw/zinc/35/12/93/170351293.db2.gz ZBTBOTFVUDMAOT-CQSZACIVSA-N 1 1 261.365 3.142 40 0 CGABMO C[N@H+]1CCC[C@@H](c2cnc(-c3ccc(F)c(F)c3)cn2)C1 ZINC000072365103 176380220 /nfs/dbraw/zinc/38/02/20/176380220.db2.gz XBXBGNJOTVOKFX-GFCCVEGCSA-N 1 1 289.329 3.231 40 0 CGABMO c1c[nH]c(C[N@@H+]2CC[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000072368026 176382385 /nfs/dbraw/zinc/38/23/85/176382385.db2.gz IAQSTCNGPXVGKO-HNNXBMFYSA-N 1 1 292.386 3.023 40 0 CGABMO c1c[nH]c(C[N@@H+]2CC[C@@H](Cc3cnc4ccccc4c3)C2)n1 ZINC000072368024 176382875 /nfs/dbraw/zinc/38/28/75/176382875.db2.gz WTUODQKXDKFKBR-AWEZNQCLSA-N 1 1 292.386 3.023 40 0 CGABMO CCn1c2ccccc2nc1C[N@H+]1CCCC[C@H]1C ZINC000076555444 177037725 /nfs/dbraw/zinc/03/77/25/177037725.db2.gz PCZUWHQOFIAKPF-CYBMUJFWSA-N 1 1 257.381 3.431 40 0 CGABMO CC(=O)Nc1cc([NH+]2C[C@@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216864353 273493689 /nfs/dbraw/zinc/49/36/89/273493689.db2.gz GPBTZWNIPMXMGX-QWRGUYRKSA-N 1 1 275.396 3.018 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCC[C@@H]32)C1 ZINC000225718103 333182111 /nfs/dbraw/zinc/18/21/11/333182111.db2.gz RUBZSLWQDHSQAX-VSZNYVQBSA-N 1 1 292.467 3.083 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCC[C@@H]32)C1 ZINC000225718103 333182113 /nfs/dbraw/zinc/18/21/13/333182113.db2.gz RUBZSLWQDHSQAX-VSZNYVQBSA-N 1 1 292.467 3.083 40 0 CGABMO C[C@H]1CCC[N@@H+](CCCCOc2ccc(C=O)cc2)C1 ZINC000217793612 230396725 /nfs/dbraw/zinc/39/67/25/230396725.db2.gz UDMYHMXJRJNNEU-HNNXBMFYSA-N 1 1 275.392 3.390 40 0 CGABMO CN(C)Cc1ccnc([C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000257309809 282150384 /nfs/dbraw/zinc/15/03/84/282150384.db2.gz UCLOZOKLYSWYAY-MRXNPFEDSA-N 1 1 288.439 3.008 40 0 CGABMO Cc1ccccc1C(=O)N1CC[C@]2(CCC[N@H+]2CC2CC2)C1 ZINC000585099638 346724205 /nfs/dbraw/zinc/72/42/05/346724205.db2.gz UEZCHOABZBKEHR-LJQANCHMSA-N 1 1 298.430 3.086 40 0 CGABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585177453 346725714 /nfs/dbraw/zinc/72/57/14/346725714.db2.gz PVJOJDVNAGPKHI-HNNXBMFYSA-N 1 1 280.375 3.189 40 0 CGABMO NC(=O)C[C@H]([NH3+])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000090585998 180009643 /nfs/dbraw/zinc/00/96/43/180009643.db2.gz SPQUYMLJJZOYKX-JTQLQIEISA-N 1 1 299.157 3.129 40 0 CGABMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000002042837 368444367 /nfs/dbraw/zinc/44/43/67/368444367.db2.gz QVPCHUSMYXRTHF-QGZVFWFLSA-N 1 1 281.355 3.118 40 0 CGABMO Cc1cc(C[N@@H+](C)Cc2ccccc2N2CCCCC2)[nH]n1 ZINC000019658692 368759595 /nfs/dbraw/zinc/75/95/95/368759595.db2.gz NNQLXVDDLFBZGL-UHFFFAOYSA-N 1 1 298.434 3.340 40 0 CGABMO Cc1cc(C[N@H+](C)Cc2ccccc2N2CCCCC2)[nH]n1 ZINC000019658692 368759601 /nfs/dbraw/zinc/75/96/01/368759601.db2.gz NNQLXVDDLFBZGL-UHFFFAOYSA-N 1 1 298.434 3.340 40 0 CGABMO CC(C)OCCC[N@H+](Cc1cccnc1)Cc1ccccn1 ZINC000019450402 368753361 /nfs/dbraw/zinc/75/33/61/368753361.db2.gz QWEQWEGSCOQVQS-UHFFFAOYSA-N 1 1 299.418 3.294 40 0 CGABMO CC(C)OCCC[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC000019450402 368753365 /nfs/dbraw/zinc/75/33/65/368753365.db2.gz QWEQWEGSCOQVQS-UHFFFAOYSA-N 1 1 299.418 3.294 40 0 CGABMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)ccc(O)c1C ZINC000030731123 368906055 /nfs/dbraw/zinc/90/60/55/368906055.db2.gz IXOVDWXTIIYVOJ-AWEZNQCLSA-N 1 1 290.407 3.212 40 0 in-vitro CGABMO CC(C)[N@H+](CCO)Cc1c(Cl)cccc1Cl ZINC000049824761 369416927 /nfs/dbraw/zinc/41/69/27/369416927.db2.gz IYIKDYPTOWCMBZ-UHFFFAOYSA-N 1 1 262.180 3.196 40 0 CGABMO CC(C)[N@@H+](CCO)Cc1c(Cl)cccc1Cl ZINC000049824761 369416931 /nfs/dbraw/zinc/41/69/31/369416931.db2.gz IYIKDYPTOWCMBZ-UHFFFAOYSA-N 1 1 262.180 3.196 40 0 CGABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(C)C)cnc1N(C)C ZINC000072218623 369815786 /nfs/dbraw/zinc/81/57/86/369815786.db2.gz ICCYBXUDVQPWME-HNNXBMFYSA-N 1 1 261.413 3.249 40 0 CGABMO c1ccc(C[N@@H+]2CCc3[nH]c4ncccc4c3C2)cc1 ZINC000091244415 370073850 /nfs/dbraw/zinc/07/38/50/370073850.db2.gz PFUXEMLQBXTFKZ-UHFFFAOYSA-N 1 1 263.344 3.121 40 0 CGABMO c1ccc(C[N@H+]2CCc3[nH]c4ncccc4c3C2)cc1 ZINC000091244415 370073852 /nfs/dbraw/zinc/07/38/52/370073852.db2.gz PFUXEMLQBXTFKZ-UHFFFAOYSA-N 1 1 263.344 3.121 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@H](c3nccc(C)n3)C2)s1 ZINC000257241834 190018603 /nfs/dbraw/zinc/01/86/03/190018603.db2.gz HZUHHDVVAYMYNM-ZDUSSCGKSA-N 1 1 273.405 3.144 40 0 CGABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2scnc2C)ccn1 ZINC000257290268 190027611 /nfs/dbraw/zinc/02/76/11/190027611.db2.gz QCFDTTVSIFLPGA-ZDUSSCGKSA-N 1 1 288.420 3.225 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000257293583 190028572 /nfs/dbraw/zinc/02/85/72/190028572.db2.gz QQFNGKRKFMIBAX-HNNXBMFYSA-N 1 1 287.382 3.279 40 0 CGABMO C[N@H+]1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257319277 190033321 /nfs/dbraw/zinc/03/33/21/190033321.db2.gz VRQOZFKITYQNOR-ZDUSSCGKSA-N 1 1 274.339 3.214 40 0 CGABMO c1csc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)n1 ZINC000257319754 190033439 /nfs/dbraw/zinc/03/34/39/190033439.db2.gz VTYKLTHCJZHTEY-AWEZNQCLSA-N 1 1 273.405 3.135 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000257328695 190035112 /nfs/dbraw/zinc/03/51/12/190035112.db2.gz XGSQBABSSZEUOF-ZDUSSCGKSA-N 1 1 275.421 3.170 40 0 CGABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000257337146 190036450 /nfs/dbraw/zinc/03/64/50/190036450.db2.gz YROUITNGNHPCEV-LBPRGKRZSA-N 1 1 261.394 3.159 40 0 CGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257344964 190037794 /nfs/dbraw/zinc/03/77/94/190037794.db2.gz ZZKAEHWQAFGZPN-OAHLLOKOSA-N 1 1 285.391 3.106 40 0 CGABMO COc1cc(C[N@H+]2CCCC[C@@H]2C(C)C)ccc1O ZINC000180083170 542205592 /nfs/dbraw/zinc/20/55/92/542205592.db2.gz ABRWKMBSMOCXRB-CQSZACIVSA-N 1 1 263.381 3.411 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1cccc(-c2ccnn2C)n1 ZINC000257297093 377795279 /nfs/dbraw/zinc/79/52/79/377795279.db2.gz RFUYHGZADHZDKU-INIZCTEOSA-N 1 1 270.380 3.027 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211611 392197263 /nfs/dbraw/zinc/19/72/63/392197263.db2.gz IKUUAUAOTITBPI-NSHDSACASA-N 1 1 269.186 3.389 40 0 CGABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)CC)nc1 ZINC000072212734 392198785 /nfs/dbraw/zinc/19/87/85/392198785.db2.gz DPIXXTIBCUTEJG-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072214423 392199250 /nfs/dbraw/zinc/19/92/50/392199250.db2.gz MYMSUWGPGPWQLF-ZDUSSCGKSA-N 1 1 291.395 3.220 40 0 CGABMO CCCN(CCC)c1ccc([C@@H](O)CC)c(C)[nH+]1 ZINC000072224332 392203156 /nfs/dbraw/zinc/20/31/56/392203156.db2.gz UCQIHSNHNMKYAJ-AWEZNQCLSA-N 1 1 250.386 3.460 40 0 CGABMO Nc1ncc(C[N@H+]2CCCC23CCCCC3)s1 ZINC000261712791 393143412 /nfs/dbraw/zinc/14/34/12/393143412.db2.gz DUEGBZMDNHAONK-UHFFFAOYSA-N 1 1 251.399 3.024 40 0 CGABMO C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000006001516 170167116 /nfs/dbraw/zinc/16/71/16/170167116.db2.gz AUULAHNRCXSKGA-OAHLLOKOSA-N 1 1 297.826 3.344 40 0 CGABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000006008940 170167696 /nfs/dbraw/zinc/16/76/96/170167696.db2.gz ZEOWJWWXFFKASZ-KRWDZBQOSA-N 1 1 291.435 3.308 40 0 CGABMO CC[C@H](C)[C@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441210 173211129 /nfs/dbraw/zinc/21/11/29/173211129.db2.gz PURFUQMZTZSMDZ-CPCISQLKSA-N 1 1 282.185 3.371 40 0 CGABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072373120 176384739 /nfs/dbraw/zinc/38/47/39/176384739.db2.gz KQWIQVJTWDYNQC-HNNXBMFYSA-N 1 1 297.402 3.173 40 0 CGABMO c1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000031561892 260142066 /nfs/dbraw/zinc/14/20/66/260142066.db2.gz KKZVFODAEIXMLP-UHFFFAOYSA-N 1 1 283.371 3.098 40 0 CGABMO CCN(C)[C@@H]1C[N@@H+](CC2CC2)C2(C1)CCCCC2 ZINC000257242210 276309258 /nfs/dbraw/zinc/30/92/58/276309258.db2.gz IBNMUPSKSRMMHL-HNNXBMFYSA-N 1 1 250.430 3.125 40 0 CGABMO COc1cc(C=O)ccc1OCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000217789239 533720710 /nfs/dbraw/zinc/72/07/10/533720710.db2.gz BGJXXLPIECDXQG-OKILXGFUSA-N 1 1 291.391 3.149 40 0 CGABMO CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccsc1)CC2 ZINC000096047492 185072345 /nfs/dbraw/zinc/07/23/45/185072345.db2.gz HHVWFDKPJWHANS-MRXNPFEDSA-N 1 1 292.448 3.115 40 0 CGABMO Cc1ccc(C[NH2+]Cc2cc3cccc(C)c3[nH]c2=O)o1 ZINC000013998552 368672611 /nfs/dbraw/zinc/67/26/11/368672611.db2.gz OSEMFMQNCIZIQK-UHFFFAOYSA-N 1 1 282.343 3.028 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccccn2)no1 ZINC000019119445 368744588 /nfs/dbraw/zinc/74/45/88/368744588.db2.gz TZQCQKLHKQRFLB-INIZCTEOSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccccn2)no1 ZINC000019119445 368744594 /nfs/dbraw/zinc/74/45/94/368744594.db2.gz TZQCQKLHKQRFLB-INIZCTEOSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1ccc(C)c(C(=O)NCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000046882600 369299226 /nfs/dbraw/zinc/29/92/26/369299226.db2.gz RKKIJEIYFVRLTL-GASCZTMLSA-N 1 1 288.435 3.011 40 0 CGABMO c1coc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c1 ZINC000049169320 369390688 /nfs/dbraw/zinc/39/06/88/369390688.db2.gz JKEAVUUMSQZDCA-AWEZNQCLSA-N 1 1 295.342 3.319 40 0 biogenic,in-vitro CGABMO CC(=O)N1CCCC[C@H]1c1c[nH+]c(N2CCCC2)cc1C ZINC000072218894 369816231 /nfs/dbraw/zinc/81/62/31/369816231.db2.gz KMGJRHHPMQDICT-INIZCTEOSA-N 1 1 287.407 3.064 40 0 CGABMO CCc1ccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)o1 ZINC000096255075 370208464 /nfs/dbraw/zinc/20/84/64/370208464.db2.gz CHVHOFVIVMGURM-UHFFFAOYSA-N 1 1 297.402 3.110 40 0 CGABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000257202135 190010691 /nfs/dbraw/zinc/01/06/91/190010691.db2.gz AKQDPKYZXBLFPV-ZDUSSCGKSA-N 1 1 273.405 3.226 40 0 CGABMO Cc1cc(-c2cc[nH]n2)nc([C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257244335 190019512 /nfs/dbraw/zinc/01/95/12/190019512.db2.gz IKVNNVIAYXPPGN-OAHLLOKOSA-N 1 1 285.395 3.111 40 0 CGABMO Cc1n[nH]cc1C[N@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257264751 190023219 /nfs/dbraw/zinc/02/32/19/190023219.db2.gz LVWYWQQVXBEZLY-HWWDLCQESA-N 1 1 297.402 3.008 40 0 CGABMO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257264751 190023220 /nfs/dbraw/zinc/02/32/20/190023220.db2.gz LVWYWQQVXBEZLY-HWWDLCQESA-N 1 1 297.402 3.008 40 0 CGABMO Cc1[nH]ncc1C[N@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257264751 190023221 /nfs/dbraw/zinc/02/32/21/190023221.db2.gz LVWYWQQVXBEZLY-HWWDLCQESA-N 1 1 297.402 3.008 40 0 CGABMO c1cnc2ccc(C[N@H+]3CCC[C@@H]3c3ccncn3)cc2c1 ZINC000257277929 190025571 /nfs/dbraw/zinc/02/55/71/190025571.db2.gz OABMDZBNQWBWFK-GOSISDBHSA-N 1 1 290.370 3.362 40 0 CGABMO CNc1cc([C@H]2CCC[N@H+]2Cc2scnc2C)ccn1 ZINC000257290267 190027774 /nfs/dbraw/zinc/02/77/74/190027774.db2.gz QCFDTTVSIFLPGA-CYBMUJFWSA-N 1 1 288.420 3.225 40 0 CGABMO CC(=O)N1CCC[C@H]1c1c[nH+]c(N2CCCCC2)cc1C ZINC000072219213 392200147 /nfs/dbraw/zinc/20/01/47/392200147.db2.gz SJUTWIMDPVCFDE-INIZCTEOSA-N 1 1 287.407 3.064 40 0 CGABMO Cc1cc([C@H]2CCCC[N@@H+]2C(C)C)cnc1N(C)C ZINC000072218641 392200342 /nfs/dbraw/zinc/20/03/42/392200342.db2.gz WYHKEXVPBHEUJL-OAHLLOKOSA-N 1 1 261.413 3.391 40 0 CGABMO Cc1[nH+]c(NC(C)C)ccc1[C@H](O)c1ccccc1 ZINC000072224049 392202769 /nfs/dbraw/zinc/20/27/69/392202769.db2.gz OQWNXBNNNDLLRN-MRXNPFEDSA-N 1 1 256.349 3.292 40 0 CGABMO C[NH+](C)Cc1c(Cl)cccc1[C@H](O)c1ccccc1 ZINC000005599725 170118360 /nfs/dbraw/zinc/11/83/60/170118360.db2.gz UNALKMYCJOCLLH-MRXNPFEDSA-N 1 1 275.779 3.483 40 0 CGABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000037530321 173253010 /nfs/dbraw/zinc/25/30/10/173253010.db2.gz LIIZJBOIYSYKOB-GUTXKFCHSA-N 1 1 297.826 3.058 40 0 CGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC(C)C)cc1 ZINC000038859204 174158330 /nfs/dbraw/zinc/15/83/30/174158330.db2.gz KJUGACWYVPMDEV-UHFFFAOYSA-N 1 1 285.391 3.016 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000072364010 176378823 /nfs/dbraw/zinc/37/88/23/176378823.db2.gz LBMOIIPWPHQQST-AWEZNQCLSA-N 1 1 259.328 3.194 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000072364010 176378825 /nfs/dbraw/zinc/37/88/25/176378825.db2.gz LBMOIIPWPHQQST-AWEZNQCLSA-N 1 1 259.328 3.194 40 0 CGABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000072374094 176385230 /nfs/dbraw/zinc/38/52/30/176385230.db2.gz UZOKNYOQPKDJPP-HNNXBMFYSA-N 1 1 299.418 3.232 40 0 CGABMO CNc1cc(C)c([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072219047 273975249 /nfs/dbraw/zinc/97/52/49/273975249.db2.gz BLADQXPPOLKMJS-INIZCTEOSA-N 1 1 295.386 3.409 40 0 CGABMO CC1CC[NH+](CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004602895 278545699 /nfs/dbraw/zinc/54/56/99/278545699.db2.gz PLEZTILIPMYTPB-UHFFFAOYSA-N 1 1 290.451 3.008 40 0 CGABMO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1C ZINC000253607485 346395125 /nfs/dbraw/zinc/39/51/25/346395125.db2.gz FMLHDYSHTHBTBB-HZPDHXFCSA-N 1 1 291.435 3.424 40 0 CGABMO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cccs2)C1 ZINC000585094637 346724443 /nfs/dbraw/zinc/72/44/43/346724443.db2.gz BVZLFNAXKMZELZ-AWEZNQCLSA-N 1 1 290.432 3.218 40 0 CGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000585182122 346725928 /nfs/dbraw/zinc/72/59/28/346725928.db2.gz RCRACAJRNPSKFD-AWEZNQCLSA-N 1 1 294.402 3.346 40 0 CGABMO c1cc(C[C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]n1 ZINC000585182122 346725931 /nfs/dbraw/zinc/72/59/31/346725931.db2.gz RCRACAJRNPSKFD-AWEZNQCLSA-N 1 1 294.402 3.346 40 0 CGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]n1 ZINC000585182122 346725934 /nfs/dbraw/zinc/72/59/34/346725934.db2.gz RCRACAJRNPSKFD-AWEZNQCLSA-N 1 1 294.402 3.346 40 0 CGABMO O=C(Cc1ccccc1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000000035431 368273617 /nfs/dbraw/zinc/27/36/17/368273617.db2.gz ANRKBSNCMOEINP-IRXDYDNUSA-N 1 1 287.403 3.037 40 0 biogenic,in-vitro CGABMO Cc1ccc([C@@H]2Nc3ccccc3C3=[NH+]CCCN32)o1 ZINC000012144180 368605221 /nfs/dbraw/zinc/60/52/21/368605221.db2.gz XAFXMVAPRKJWJP-MRXNPFEDSA-N 1 1 267.332 3.165 40 0 CGABMO Cc1ccc([C@H]2Nc3ccccc3C3=[NH+]CCCN32)o1 ZINC000012144181 368605471 /nfs/dbraw/zinc/60/54/71/368605471.db2.gz XAFXMVAPRKJWJP-INIZCTEOSA-N 1 1 267.332 3.165 40 0 CGABMO CCC[C@H](C(=O)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000013682141 368661253 /nfs/dbraw/zinc/66/12/53/368661253.db2.gz AGRVUDWDZKZCAA-CQSZACIVSA-N 1 1 291.391 3.151 40 0 in-vitro CGABMO OCC[N@@H+](Cc1cccs1)Cc1ccc2ccccc2n1 ZINC000013997485 368673233 /nfs/dbraw/zinc/67/32/33/368673233.db2.gz RXDXDXWRUPQCKP-UHFFFAOYSA-N 1 1 298.411 3.291 40 0 CGABMO Cc1nc2c(c(=O)[nH]1)CC[N@H+](CC[C@H](C)c1ccccc1)C2 ZINC000019576575 368756538 /nfs/dbraw/zinc/75/65/38/368756538.db2.gz GILNIYWRTKIJMT-ZDUSSCGKSA-N 1 1 297.402 3.043 40 0 CGABMO CC[NH+](CC)CCNCc1cccc2ccccc21 ZINC000019919119 368785019 /nfs/dbraw/zinc/78/50/19/368785019.db2.gz IZWKUXAVBQJKDA-UHFFFAOYSA-N 1 1 256.393 3.271 40 0 CGABMO C[C@@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000034797648 368977807 /nfs/dbraw/zinc/97/78/07/368977807.db2.gz JMOOQDCGQHQDQR-RXMQYKEDSA-N 1 1 258.108 3.063 40 0 CGABMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC000096268575 370209011 /nfs/dbraw/zinc/20/90/11/370209011.db2.gz XCLAKTGLPULDCJ-MRXNPFEDSA-N 1 1 278.827 3.258 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cn(C)nc2C)no1 ZINC000019119472 541854432 /nfs/dbraw/zinc/85/44/32/541854432.db2.gz HQWYTKDXMUYLLS-INIZCTEOSA-N 1 1 288.395 3.142 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cn(C)nc2C)no1 ZINC000019119472 541854433 /nfs/dbraw/zinc/85/44/33/541854433.db2.gz HQWYTKDXMUYLLS-INIZCTEOSA-N 1 1 288.395 3.142 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2cccc(C)n2)o1 ZINC000306141129 374127899 /nfs/dbraw/zinc/12/78/99/374127899.db2.gz VLWWFIYDAHQFPC-DLBZAZTESA-N 1 1 297.402 3.145 40 0 CGABMO CC(C)n1nccc1C[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256053413 190004705 /nfs/dbraw/zinc/00/47/05/190004705.db2.gz RJLGUBUPDDJOTK-UHFFFAOYSA-N 1 1 287.411 3.065 40 0 CGABMO CCCn1nccc1-c1ccc(C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000257219475 190013757 /nfs/dbraw/zinc/01/37/57/190013757.db2.gz DGXGGXCTDQOCGQ-MRXNPFEDSA-N 1 1 298.434 3.239 40 0 CGABMO Cc1cnc([C@H]2CCC[N@H+](Cc3nccs3)C2)s1 ZINC000257267023 190022965 /nfs/dbraw/zinc/02/29/65/190022965.db2.gz MFQKFEHPDSLDFO-NSHDSACASA-N 1 1 279.434 3.288 40 0 CGABMO Cc1cnc([C@H]2CCC[N@@H+](Cc3nccs3)C2)s1 ZINC000257267023 190022966 /nfs/dbraw/zinc/02/29/66/190022966.db2.gz MFQKFEHPDSLDFO-NSHDSACASA-N 1 1 279.434 3.288 40 0 CGABMO Cc1nc(-c2ccc(C[C@@H]3CC[N@H+](C)C3)cn2)sc1C ZINC000257259912 190022383 /nfs/dbraw/zinc/02/23/83/190022383.db2.gz LAQNPFZZVLJAGX-AWEZNQCLSA-N 1 1 287.432 3.316 40 0 CGABMO CNc1cc([C@H]2CCC[N@H+]2Cc2ccsc2)nc(C)n1 ZINC000257283991 190026040 /nfs/dbraw/zinc/02/60/40/190026040.db2.gz PAUIMPRHISEPFH-CQSZACIVSA-N 1 1 288.420 3.225 40 0 CGABMO CC(C)n1nccc1-c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000257289193 190027737 /nfs/dbraw/zinc/02/77/37/190027737.db2.gz PXLIAENNXNRXNG-HNNXBMFYSA-N 1 1 270.380 3.293 40 0 CGABMO Cc1c[nH]c([C@@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000257295725 190028123 /nfs/dbraw/zinc/02/81/23/190028123.db2.gz QZPRFNUKBRPVRT-HNNXBMFYSA-N 1 1 255.365 3.098 40 0 CGABMO Cc1nccc([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000257301057 190030139 /nfs/dbraw/zinc/03/01/39/190030139.db2.gz RWVFEDMBHNXNTK-AWEZNQCLSA-N 1 1 259.397 3.297 40 0 CGABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@H]1CCCCN1C=O ZINC000072219253 291932342 /nfs/dbraw/zinc/93/23/42/291932342.db2.gz XLFLTZWUQPFXCL-MRXNPFEDSA-N 1 1 287.407 3.064 40 0 CGABMO Cc1cc(N)ncc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218490 392200573 /nfs/dbraw/zinc/20/05/73/392200573.db2.gz CSLVOZBAPRHDDP-MRXNPFEDSA-N 1 1 267.376 3.309 40 0 CGABMO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCC[N@@H+]1C ZINC000072219205 392200596 /nfs/dbraw/zinc/20/05/96/392200596.db2.gz DXOIDGIHFXEZEH-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1 ZINC000072227472 292128511 /nfs/dbraw/zinc/12/85/11/292128511.db2.gz VAIMTZZLMMOZAL-HUUCEWRRSA-N 1 1 286.762 3.064 40 0 CGABMO CC(C)[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000005963147 170163668 /nfs/dbraw/zinc/16/36/68/170163668.db2.gz LFUOKMUOQPDWPU-HNNXBMFYSA-N 1 1 277.408 3.485 40 0 CGABMO CC(C)[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000005963147 170163669 /nfs/dbraw/zinc/16/36/69/170163669.db2.gz LFUOKMUOQPDWPU-HNNXBMFYSA-N 1 1 277.408 3.485 40 0 CGABMO CC[C@H](OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000006355962 170195161 /nfs/dbraw/zinc/19/51/61/170195161.db2.gz KZUCROJGSXJBCA-SZMVWBNQSA-N 1 1 291.435 3.390 40 0 CGABMO CC[N@@H+](CCO)[C@H](Cc1ccccc1)c1ccccc1 ZINC000006384908 170196903 /nfs/dbraw/zinc/19/69/03/170196903.db2.gz VIINOCXXNVSWPL-GOSISDBHSA-N 1 1 269.388 3.285 40 0 CGABMO CCn1nc(C[NH2+]Cc2ccccc2)c(-c2ccccc2)n1 ZINC000035287302 172105188 /nfs/dbraw/zinc/10/51/88/172105188.db2.gz OODHKFMKBTZMSE-UHFFFAOYSA-N 1 1 292.386 3.255 40 0 CGABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072355677 176375034 /nfs/dbraw/zinc/37/50/34/176375034.db2.gz QXYZSGSPJSLMSF-OAHLLOKOSA-N 1 1 284.407 3.375 40 0 CGABMO Cc1cccc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)n1 ZINC000072385804 176390576 /nfs/dbraw/zinc/39/05/76/176390576.db2.gz VNIBATRLJZRPJX-QGZVFWFLSA-N 1 1 281.403 3.240 40 0 CGABMO Cc1[nH+]c(N)ccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218558 302597670 /nfs/dbraw/zinc/59/76/70/302597670.db2.gz ICLODOJGVPYNQH-GFCCVEGCSA-N 1 1 277.368 3.044 40 0 CGABMO C[C@@H]1CCC[N@@H+](CCCCOc2ccc(C=O)cc2)C1 ZINC000217793518 230396805 /nfs/dbraw/zinc/39/68/05/230396805.db2.gz UDMYHMXJRJNNEU-OAHLLOKOSA-N 1 1 275.392 3.390 40 0 CGABMO c1csc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000096046932 185073385 /nfs/dbraw/zinc/07/33/85/185073385.db2.gz WLUVVSQITBYVFW-QGZVFWFLSA-N 1 1 290.476 3.446 40 0 CGABMO Cc1nc(NC2CC2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329013546 136377303 /nfs/dbraw/zinc/37/73/03/136377303.db2.gz MQKSPQZMLNFRKG-LBPRGKRZSA-N 1 1 294.402 3.311 40 0 CGABMO CNc1cc(SCc2ccc(Cl)cc2)[nH+]c(N)n1 ZINC000001670219 368428854 /nfs/dbraw/zinc/42/88/54/368428854.db2.gz QXVGHNNWAYBJOR-UHFFFAOYSA-N 1 1 280.784 3.046 40 0 CGABMO CC[NH+](CC)CC(=O)OC[C@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000004124586 368532251 /nfs/dbraw/zinc/53/22/51/368532251.db2.gz VPZWLSLNRAQCSM-KKUMJFAQSA-N 1 1 267.413 3.110 40 0 CGABMO Cc1cc(C)c(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000003865340 368521917 /nfs/dbraw/zinc/52/19/17/368521917.db2.gz RRGHERDNNOVPPF-IRXDYDNUSA-N 1 1 291.435 3.226 40 0 CGABMO CC(C)[N@@H+](CCO)Cc1ccc(Cl)cc1Cl ZINC000049824729 369416604 /nfs/dbraw/zinc/41/66/04/369416604.db2.gz FYZDZUABDBOKAW-UHFFFAOYSA-N 1 1 262.180 3.196 40 0 CGABMO C[N@@H+]1CCCC[C@H]1c1cccnc1Br ZINC000072211624 369816119 /nfs/dbraw/zinc/81/61/19/369816119.db2.gz KPKKVRIZBXQDER-JTQLQIEISA-N 1 1 255.159 3.001 40 0 CGABMO C[N@H+]1CCCC[C@H]1c1cccnc1Br ZINC000072211624 369816124 /nfs/dbraw/zinc/81/61/24/369816124.db2.gz KPKKVRIZBXQDER-JTQLQIEISA-N 1 1 255.159 3.001 40 0 CGABMO Cc1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3C)C2)s1 ZINC000096049961 370202524 /nfs/dbraw/zinc/20/25/24/370202524.db2.gz SCZRIBLMIQJVFJ-MRXNPFEDSA-N 1 1 292.448 3.033 40 0 CGABMO CC(C)[N@@H+](C)Cc1cncc2c1CCN(Cc1ccoc1)C2 ZINC000096189464 370207488 /nfs/dbraw/zinc/20/74/88/370207488.db2.gz FKYSRGDJYXKKSA-UHFFFAOYSA-N 1 1 299.418 3.073 40 0 CGABMO C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000144051934 371516655 /nfs/dbraw/zinc/51/66/55/371516655.db2.gz JCDMREVIWJQGLS-CRAIPNDOSA-N 1 1 296.414 3.209 40 0 CGABMO C[N@H+]1CCC[C@H](c2cnc(Cc3ccccc3F)cn2)C1 ZINC000257209483 190012172 /nfs/dbraw/zinc/01/21/72/190012172.db2.gz BQOSWEDZBDVRFO-AWEZNQCLSA-N 1 1 285.366 3.016 40 0 CGABMO OC1(C[N@H+]2CCC[C@H](c3nccs3)C2)CCCCC1 ZINC000257265926 190023214 /nfs/dbraw/zinc/02/32/14/190023214.db2.gz MAXJXXPJJCISKR-ZDUSSCGKSA-N 1 1 280.437 3.018 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccsc3)C2)n1 ZINC000257272802 190024507 /nfs/dbraw/zinc/02/45/07/190024507.db2.gz NDYDFUXKOIRVGV-AWEZNQCLSA-N 1 1 275.421 3.170 40 0 CGABMO CCn1nccc1-c1cccc(C[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257296081 190028791 /nfs/dbraw/zinc/02/87/91/190028791.db2.gz RBDVDGPLQWLKTL-OAHLLOKOSA-N 1 1 298.434 3.238 40 0 CGABMO Cc1csc(-c2cc(C)nc([C@@H]3CCCC[N@H+]3C)n2)n1 ZINC000257337732 190036721 /nfs/dbraw/zinc/03/67/21/190036721.db2.gz YUDDRGSYLDDANE-ZDUSSCGKSA-N 1 1 288.420 3.374 40 0 CGABMO Cc1csc(-c2cc(C)nc([C@@H]3CCCC[N@@H+]3C)n2)n1 ZINC000257337732 190036722 /nfs/dbraw/zinc/03/67/22/190036722.db2.gz YUDDRGSYLDDANE-ZDUSSCGKSA-N 1 1 288.420 3.374 40 0 CGABMO CC1CCC([NH+]2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC000197193275 376120781 /nfs/dbraw/zinc/12/07/81/376120781.db2.gz ALKCVQHSCHWEHN-OLOUCDKRSA-N 1 1 288.479 3.395 40 0 CGABMO CC[n+]1cccc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 ZINC000226774495 376372817 /nfs/dbraw/zinc/37/28/17/376372817.db2.gz YKPGZFVSQKJVSB-UHFFFAOYSA-N 1 1 272.759 3.499 40 0 CGABMO N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1OC1CCCC1 ZINC000242548875 376782871 /nfs/dbraw/zinc/78/28/71/376782871.db2.gz LXSMCOZCQWTNBZ-QZWWFDLISA-N 1 1 280.456 3.116 40 0 CGABMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211654 392197002 /nfs/dbraw/zinc/19/70/02/392197002.db2.gz ZRDQMYXDLAKLOY-INIZCTEOSA-N 1 1 268.360 3.427 40 0 CGABMO CCN(CC)c1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072212896 392199157 /nfs/dbraw/zinc/19/91/57/392199157.db2.gz DNEUAWBGKJIOIR-OAHLLOKOSA-N 1 1 261.413 3.473 40 0 CGABMO CCCNc1ccc([C@H](O)c2ccccc2)c(C)[nH+]1 ZINC000072224254 392202733 /nfs/dbraw/zinc/20/27/33/392202733.db2.gz XXLRZPIGXOMQLG-MRXNPFEDSA-N 1 1 256.349 3.294 40 0 CGABMO CC1(C)CN(c2cc[nH+]c(NC3CC3)n2)Cc2ccccc21 ZINC000328987056 392677450 /nfs/dbraw/zinc/67/74/50/392677450.db2.gz IAHSLBMHGLIXAL-UHFFFAOYSA-N 1 1 294.402 3.349 40 0 CGABMO c1cc2cc(C[C@H]3COCC[N@H+](CC4CC4)C3)ccc2[nH]1 ZINC000257322456 393135736 /nfs/dbraw/zinc/13/57/36/393135736.db2.gz WGBQEPBPWVRYGF-MRXNPFEDSA-N 1 1 284.403 3.069 40 0 CGABMO COc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000008701453 170347113 /nfs/dbraw/zinc/34/71/13/170347113.db2.gz BNWAOASJXVAUNJ-UHFFFAOYSA-N 1 1 253.305 3.184 40 0 CGABMO COc1cc(C=O)ccc1OCCC[N@H+]1CCC[C@H](C)C1 ZINC000008731574 170351075 /nfs/dbraw/zinc/35/10/75/170351075.db2.gz MVAMVOKYOOMUMS-AWEZNQCLSA-N 1 1 291.391 3.009 40 0 CGABMO Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446562 172202368 /nfs/dbraw/zinc/20/23/68/172202368.db2.gz YAOFQVPYHFJYIR-AWEZNQCLSA-N 1 1 292.386 3.256 40 0 biogenic,in-vitro CGABMO Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccccn4)C3)[nH]c2c1 ZINC000035446562 172202369 /nfs/dbraw/zinc/20/23/69/172202369.db2.gz YAOFQVPYHFJYIR-AWEZNQCLSA-N 1 1 292.386 3.256 40 0 biogenic,in-vitro CGABMO Cc1ccc2nc([C@H]3CC[N@@H+](Cc4ccccn4)C3)[nH]c2c1 ZINC000035446562 172202371 /nfs/dbraw/zinc/20/23/71/172202371.db2.gz YAOFQVPYHFJYIR-AWEZNQCLSA-N 1 1 292.386 3.256 40 0 biogenic,in-vitro CGABMO CC(C)[N@H+]1CCC[C@@H]1CCc1cc(-c2cccnc2)ncn1 ZINC000072365141 176379935 /nfs/dbraw/zinc/37/99/35/176379935.db2.gz SYSYMNKTHFGBKE-QGZVFWFLSA-N 1 1 296.418 3.344 40 0 CGABMO Cc1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)ccn1 ZINC000072366678 176381986 /nfs/dbraw/zinc/38/19/86/176381986.db2.gz DBCLRWNDPIYCNJ-KRWDZBQOSA-N 1 1 267.376 3.165 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1nccnc1Nc1ccccn1 ZINC000072384614 176388531 /nfs/dbraw/zinc/38/85/31/176388531.db2.gz XHJQLWMGOALJMW-ZDUSSCGKSA-N 1 1 283.379 3.161 40 0 CGABMO O[C@@H]1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]2C1 ZINC000005084611 275054299 /nfs/dbraw/zinc/05/42/99/275054299.db2.gz YZHQOLWNBFSHQZ-MMQJMDILSA-N 1 1 296.414 3.248 40 0 CGABMO Brc1cc2c(s1)CC[N@H+](CC1CC1)C2 ZINC000095097539 275368233 /nfs/dbraw/zinc/36/82/33/275368233.db2.gz VIZUIHRKJZAJJS-UHFFFAOYSA-N 1 1 272.211 3.279 40 0 CGABMO Brc1cc2c(s1)CC[N@@H+](CC1CC1)C2 ZINC000095097539 275368234 /nfs/dbraw/zinc/36/82/34/275368234.db2.gz VIZUIHRKJZAJJS-UHFFFAOYSA-N 1 1 272.211 3.279 40 0 CGABMO CC[N@H+]1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218792 276379914 /nfs/dbraw/zinc/37/99/14/276379914.db2.gz ALAPJRHGXIUCQB-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO COC(=O)[C@@](C)(c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000109051823 277376330 /nfs/dbraw/zinc/37/63/30/277376330.db2.gz MMRSEEBTACCPCS-JKIFEVAISA-N 1 1 275.392 3.053 40 0 CGABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000072228045 281432454 /nfs/dbraw/zinc/43/24/54/281432454.db2.gz WCFWNGQDFGHDJH-MSOLQXFVSA-N 1 1 294.398 3.227 40 0 CGABMO CCC1(c2ccccc2)CN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000413451994 527818585 /nfs/dbraw/zinc/81/85/85/527818585.db2.gz KYRCNWCQEFDKDI-UHFFFAOYSA-N 1 1 278.359 3.126 40 0 CGABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1 ZINC000095534088 185006235 /nfs/dbraw/zinc/00/62/35/185006235.db2.gz PLTLIKHGUSDFCQ-AWEZNQCLSA-N 1 1 298.777 3.482 40 0 CGABMO CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096056792 185077116 /nfs/dbraw/zinc/07/71/16/185077116.db2.gz NLEXSHPMPYXTBJ-HZPDHXFCSA-N 1 1 295.448 3.156 40 0 CGABMO CNc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C2CC2)n1 ZINC000329013509 136377044 /nfs/dbraw/zinc/37/70/44/136377044.db2.gz MQDHNZPOPJWPST-LBPRGKRZSA-N 1 1 294.402 3.347 40 0 CGABMO C[N@H+]1CC[C@@H]2[C@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000167171325 346188128 /nfs/dbraw/zinc/18/81/28/346188128.db2.gz OFPJOWXBDHSDOQ-IEBWSBKVSA-N 1 1 278.399 3.495 40 0 CGABMO CC(C)N1C[C@]2(CCC[N@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000585099439 346724593 /nfs/dbraw/zinc/72/45/93/346724593.db2.gz JNQCJPAYAYGKAR-CRAIPNDOSA-N 1 1 286.419 3.080 40 0 CGABMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000352296529 219397529 /nfs/dbraw/zinc/39/75/29/219397529.db2.gz FKUQXBXCEVGEIP-INIZCTEOSA-N 1 1 287.382 3.373 40 0 CGABMO CC[N@@H+](CCO)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001668847 368429336 /nfs/dbraw/zinc/42/93/36/368429336.db2.gz VIINOCXXNVSWPL-SFHVURJKSA-N 1 1 269.388 3.285 40 0 CGABMO C[C@@H]1C[C@@H](C)CC[C@@H]1COC(=O)C[NH+]1CCCCC1 ZINC000004094082 368530208 /nfs/dbraw/zinc/53/02/08/368530208.db2.gz FLJUKBIGDILGBI-RRFJBIMHSA-N 1 1 267.413 3.088 40 0 CGABMO CC(C)Oc1ccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013804041 368667438 /nfs/dbraw/zinc/66/74/38/368667438.db2.gz HRLJEQMOQMTHFP-MPGHIAIKSA-N 1 1 290.451 3.292 40 0 CGABMO CC(C)Oc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013804041 368667444 /nfs/dbraw/zinc/66/74/44/368667444.db2.gz HRLJEQMOQMTHFP-MPGHIAIKSA-N 1 1 290.451 3.292 40 0 CGABMO CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000013804041 368667448 /nfs/dbraw/zinc/66/74/48/368667448.db2.gz HRLJEQMOQMTHFP-MPGHIAIKSA-N 1 1 290.451 3.292 40 0 CGABMO CCC[NH+]=C1NC=N[C@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369748 369535825 /nfs/dbraw/zinc/53/58/25/369535825.db2.gz RGFYCIDYDFHXQW-ZBFHGGJFSA-N 1 1 285.416 3.465 40 0 CGABMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000082609200 370003103 /nfs/dbraw/zinc/00/31/03/370003103.db2.gz XDDNKGZIWXRLDZ-UHFFFAOYSA-N 1 1 278.396 3.033 40 0 CGABMO Oc1ccc(C[NH+]2CCCCC2)cc1Br ZINC000132493737 371178798 /nfs/dbraw/zinc/17/87/98/371178798.db2.gz WDDSIXMTHZKVPY-UHFFFAOYSA-N 1 1 270.170 3.141 40 0 CGABMO CNc1cc(N2CCc3ccccc3C2)[nH+]c(C(C)C)n1 ZINC000163173764 372451212 /nfs/dbraw/zinc/45/12/12/372451212.db2.gz DCDAFJMPTUCYBL-UHFFFAOYSA-N 1 1 282.391 3.204 40 0 CGABMO CC(C)[N@H+]1C[C@H](C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000169684029 372630719 /nfs/dbraw/zinc/63/07/19/372630719.db2.gz OCFLFQDQCLZABG-LZWOXQAQSA-N 1 1 275.392 3.351 40 0 CGABMO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2C)[nH]1 ZINC000331331660 374522464 /nfs/dbraw/zinc/52/24/64/374522464.db2.gz HRLWGKVADSKRBZ-NEPJUHHUSA-N 1 1 258.369 3.142 40 0 CGABMO CCc1nc(C)c(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)[nH]1 ZINC000257235123 190017005 /nfs/dbraw/zinc/01/70/05/190017005.db2.gz GWODMVLEMCRDRM-MRXNPFEDSA-N 1 1 298.434 3.130 40 0 CGABMO CCOc1ccccc1C[N@H+]1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000257265321 190022834 /nfs/dbraw/zinc/02/28/34/190022834.db2.gz LYEVDSRERUVALA-HNNXBMFYSA-N 1 1 285.391 3.106 40 0 CGABMO Cc1ccc(Nc2nccc([C@@H]3CC[N@H+](C(C)C)C3)n2)nc1 ZINC000257313180 190031694 /nfs/dbraw/zinc/03/16/94/190031694.db2.gz URHQFJLYFNKIKJ-CQSZACIVSA-N 1 1 297.406 3.121 40 0 CGABMO Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257318086 190032683 /nfs/dbraw/zinc/03/26/83/190032683.db2.gz VMLNPFPMNDVMBA-AWEZNQCLSA-N 1 1 299.422 3.039 40 0 CGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCCCC2)cc1 ZINC000216338871 376163219 /nfs/dbraw/zinc/16/32/19/376163219.db2.gz LVNGIMMRVJYUQU-UHFFFAOYSA-N 1 1 297.402 3.377 40 0 CGABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215998 285201011 /nfs/dbraw/zinc/20/10/11/285201011.db2.gz OJNFZTVRYPEEHO-OAHLLOKOSA-N 1 1 259.397 3.229 40 0 CGABMO O=c1[nH]cccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212295 392197639 /nfs/dbraw/zinc/19/76/39/392197639.db2.gz SUNLZQURLDMAFQ-OAHLLOKOSA-N 1 1 254.333 3.124 40 0 CGABMO Cc1cc(N2CCCC2)ncc1[C@@H]1CCCC[N@@H+]1C ZINC000072218874 392200624 /nfs/dbraw/zinc/20/06/24/392200624.db2.gz ZJOZHUVRZCOQGC-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc(NC(C)C)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223008 392203062 /nfs/dbraw/zinc/20/30/62/392203062.db2.gz USKZXLYHVKNADF-INIZCTEOSA-N 1 1 256.349 3.292 40 0 CGABMO Fc1ccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)cc1 ZINC000096255080 392246345 /nfs/dbraw/zinc/24/63/45/392246345.db2.gz WLJLEHNAQXHJSR-UHFFFAOYSA-N 1 1 297.377 3.094 40 0 CGABMO CCCCC[C@@H](C)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000004792400 170017907 /nfs/dbraw/zinc/01/79/07/170017907.db2.gz TZFIKPNSAKEHAV-NVXWUHKLSA-N 1 1 263.425 3.491 40 0 CGABMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530313 173252709 /nfs/dbraw/zinc/25/27/09/173252709.db2.gz GUZAMDMFRDCEJA-VBQJREDUSA-N 1 1 291.435 3.021 40 0 CGABMO Cc1cc[nH+]c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000040434868 174261199 /nfs/dbraw/zinc/26/11/99/174261199.db2.gz KOUBXGGVBSDXQA-UHFFFAOYSA-N 1 1 291.395 3.201 40 0 CGABMO OCC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000072203662 176341697 /nfs/dbraw/zinc/34/16/97/176341697.db2.gz BTGGWRMGBXYLDR-UHFFFAOYSA-N 1 1 274.191 3.198 40 0 CGABMO Cc1ccc([C@H](C)CCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000072324755 176369645 /nfs/dbraw/zinc/36/96/45/176369645.db2.gz WBHMAMYMGDAOEJ-FMKPAKJESA-N 1 1 276.424 3.250 40 0 CGABMO COc1ccccc1C[N@@H+]1CCC[C@H]1c1n[nH]cc1C ZINC000072363815 176378167 /nfs/dbraw/zinc/37/81/67/176378167.db2.gz MVVADVOSMBMZKE-AWEZNQCLSA-N 1 1 271.364 3.064 40 0 CGABMO COc1ccccc1C[N@H+]1CCC[C@H]1c1n[nH]cc1C ZINC000072363815 176378168 /nfs/dbraw/zinc/37/81/68/176378168.db2.gz MVVADVOSMBMZKE-AWEZNQCLSA-N 1 1 271.364 3.064 40 0 CGABMO Cc1cccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072363801 176378476 /nfs/dbraw/zinc/37/84/76/176378476.db2.gz HMYJASPSXLWXOF-MRXNPFEDSA-N 1 1 267.376 3.165 40 0 CGABMO Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072369375 176384158 /nfs/dbraw/zinc/38/41/58/176384158.db2.gz IHGOKCKIXLODJZ-GFCCVEGCSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1cccc(F)c1C[N@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072369375 176384160 /nfs/dbraw/zinc/38/41/60/176384160.db2.gz IHGOKCKIXLODJZ-GFCCVEGCSA-N 1 1 289.329 3.134 40 0 CGABMO COc1ccccc1C[N@@H+]1CCCC[C@@H]1c1ccncn1 ZINC000072385089 176389495 /nfs/dbraw/zinc/38/94/95/176389495.db2.gz MBVQDKCDAFGVSN-MRXNPFEDSA-N 1 1 283.375 3.212 40 0 CGABMO COc1ccccc1C[N@H+]1CCCC[C@@H]1c1ccncn1 ZINC000072385089 176389496 /nfs/dbraw/zinc/38/94/96/176389496.db2.gz MBVQDKCDAFGVSN-MRXNPFEDSA-N 1 1 283.375 3.212 40 0 CGABMO CC(=O)N1CCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1C ZINC000072219274 275454464 /nfs/dbraw/zinc/45/44/64/275454464.db2.gz VHHKVNNMTVALON-MRXNPFEDSA-N 1 1 287.407 3.064 40 0 CGABMO CNC1=[NH+]c2ccc(Cl)cc2C(c2ccccc2)=NN1C ZINC000001622883 277262895 /nfs/dbraw/zinc/26/28/95/277262895.db2.gz OJTDIBCKEJZOMW-UHFFFAOYSA-N 1 1 298.777 3.245 40 0 CGABMO Cc1ccc2[nH]c([C@H]3CC[N@H+](CC(C)C)C3)nc2c1 ZINC000035446557 281162663 /nfs/dbraw/zinc/16/26/63/281162663.db2.gz YEEBUUVXUCYPQM-ZDUSSCGKSA-N 1 1 257.381 3.317 40 0 biogenic,in-vitro CGABMO Cc1ccc2nc([C@H]3CC[N@@H+](CC(C)C)C3)[nH]c2c1 ZINC000035446557 281162666 /nfs/dbraw/zinc/16/26/66/281162666.db2.gz YEEBUUVXUCYPQM-ZDUSSCGKSA-N 1 1 257.381 3.317 40 0 biogenic,in-vitro CGABMO Cc1ccc2nc([C@H]3CC[N@H+](CC(C)C)C3)[nH]c2c1 ZINC000035446557 281162670 /nfs/dbraw/zinc/16/26/70/281162670.db2.gz YEEBUUVXUCYPQM-ZDUSSCGKSA-N 1 1 257.381 3.317 40 0 biogenic,in-vitro CGABMO [NH3+][C@@H](c1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000095533443 185007114 /nfs/dbraw/zinc/00/71/14/185007114.db2.gz LPPNWFIGAQPCQC-CYBMUJFWSA-N 1 1 284.750 3.173 40 0 CGABMO Cc1ccc(CN2CCC3(CCCC[N@@H+]3C)CC2)o1 ZINC000096051195 185074928 /nfs/dbraw/zinc/07/49/28/185074928.db2.gz HSZVJMCNXAKYRO-UHFFFAOYSA-N 1 1 262.397 3.038 40 0 CGABMO CCCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000005509272 344862376 /nfs/dbraw/zinc/86/23/76/344862376.db2.gz PQAWTKDGLUPFGC-NVXWUHKLSA-N 1 1 291.435 3.253 40 0 CGABMO CCC(CC)C[N@H+]1CCC[C@@]2(CN([C@H](C)CC)C2=O)C1 ZINC000585099345 346724549 /nfs/dbraw/zinc/72/45/49/346724549.db2.gz GVYAVJMIJQXTLN-PBHICJAKSA-N 1 1 280.456 3.146 40 0 CGABMO CCC(CC)C[N@H+]1CCC[C@]2(CN([C@H](C)CC)C2=O)C1 ZINC000585099346 346724615 /nfs/dbraw/zinc/72/46/15/346724615.db2.gz GVYAVJMIJQXTLN-RHSMWYFYSA-N 1 1 280.456 3.146 40 0 CGABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+](C)C3)n2)s1 ZINC000585262533 346725740 /nfs/dbraw/zinc/72/57/40/346725740.db2.gz DHONIPVBMFPLAY-GFCCVEGCSA-N 1 1 288.420 3.399 40 0 CGABMO CC(C)n1nccc1-c1cnc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000585180180 346726005 /nfs/dbraw/zinc/72/60/05/346726005.db2.gz SOLPRGJDLXJAAN-INIZCTEOSA-N 1 1 299.422 3.466 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C)c1 ZINC000010543035 368583450 /nfs/dbraw/zinc/58/34/50/368583450.db2.gz OIJPHUOPOGLMLX-KRWDZBQOSA-N 1 1 288.435 3.379 40 0 CGABMO Cc1nc([C@@H]2CCC[N@@H+](CC3CC3)C2)c2ccccn12 ZINC000019240660 368745442 /nfs/dbraw/zinc/74/54/42/368745442.db2.gz WAAFCTXTENMGPJ-OAHLLOKOSA-N 1 1 269.392 3.232 40 0 CGABMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220998 368881912 /nfs/dbraw/zinc/88/19/12/368881912.db2.gz KAPXOOSXFBFSKB-AWEZNQCLSA-N 1 1 294.826 3.078 40 0 CGABMO c1cc(-c2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)ccn1 ZINC000049169565 369390874 /nfs/dbraw/zinc/39/08/74/369390874.db2.gz OIJFKJVRAIZEIO-AWEZNQCLSA-N 1 1 298.390 3.254 40 0 biogenic,in-vitro CGABMO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4n3C)C2)o1 ZINC000049171186 369391013 /nfs/dbraw/zinc/39/10/13/369391013.db2.gz CBKIFONPAPGPPV-AWEZNQCLSA-N 1 1 295.386 3.464 40 0 biogenic,in-vitro CGABMO CCCc1nnc([C@H]2CC[N@@H+](Cc3cccs3)C2)o1 ZINC000049170338 369391207 /nfs/dbraw/zinc/39/12/07/369391207.db2.gz ZOQXORHOMRHEBI-NSHDSACASA-N 1 1 277.393 3.073 40 0 biogenic,in-vitro CGABMO CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000066346900 369692330 /nfs/dbraw/zinc/69/23/30/369692330.db2.gz ZKLFJQPUTPGIOF-LLVKDONJSA-N 1 1 254.171 3.258 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215922 369816027 /nfs/dbraw/zinc/81/60/27/369816027.db2.gz RDOGQRAKOBWOFL-HNNXBMFYSA-N 1 1 259.397 3.227 40 0 CGABMO Cc1cnc2[nH]c(C(C)C)c(C[N@H+]3CCCOCC3)c2c1 ZINC000072395261 369817342 /nfs/dbraw/zinc/81/73/42/369817342.db2.gz XQXOHBVTHVKMQE-UHFFFAOYSA-N 1 1 287.407 3.217 40 0 CGABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccs1)CC2 ZINC000096217677 370208945 /nfs/dbraw/zinc/20/89/45/370208945.db2.gz TULDFJMRTSVMJD-INIZCTEOSA-N 1 1 292.448 3.115 40 0 CGABMO Nc1c(-c2ccc(Br)cc2)[nH+]cn1C1CC1 ZINC000100761276 370283528 /nfs/dbraw/zinc/28/35/28/370283528.db2.gz WOUSGEPVZBFDFR-UHFFFAOYSA-N 1 1 278.153 3.230 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccccn2)on1 ZINC000019120323 541854391 /nfs/dbraw/zinc/85/43/91/541854391.db2.gz RFCIHAHTBRKURH-OAHLLOKOSA-N 1 1 271.364 3.495 40 0 CGABMO CC(C)Cn1nccc1C[NH2+]Cc1ccc(F)s1 ZINC000256051143 190003621 /nfs/dbraw/zinc/00/36/21/190003621.db2.gz HXPOMIIPAJLQFA-UHFFFAOYSA-N 1 1 267.373 3.030 40 0 CGABMO COc1ccccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257228121 190015864 /nfs/dbraw/zinc/01/58/64/190015864.db2.gz FSJGVRYXJWHFNC-HNNXBMFYSA-N 1 1 271.364 3.146 40 0 CGABMO COc1ccccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257228121 190015865 /nfs/dbraw/zinc/01/58/65/190015865.db2.gz FSJGVRYXJWHFNC-HNNXBMFYSA-N 1 1 271.364 3.146 40 0 CGABMO c1ccc(C[C@H]2CC[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]23)nc1 ZINC000257233431 190016602 /nfs/dbraw/zinc/01/66/02/190016602.db2.gz GPFMRAWNNRCVCW-ZHALLVOQSA-N 1 1 293.414 3.177 40 0 CGABMO c1ncc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)s1 ZINC000257233851 190017266 /nfs/dbraw/zinc/01/72/66/190017266.db2.gz GQZOXPKDKJUNFF-CQSZACIVSA-N 1 1 273.405 3.135 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@@H](c3nccc(C)n3)C2)cc1 ZINC000257220372 190014661 /nfs/dbraw/zinc/01/46/61/190014661.db2.gz DKOOUKUHNKFZFZ-MRXNPFEDSA-N 1 1 267.376 3.083 40 0 CGABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000257242330 190018842 /nfs/dbraw/zinc/01/88/42/190018842.db2.gz IBYGNWQTSZCXBH-INIZCTEOSA-N 1 1 292.386 3.256 40 0 CGABMO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257279474 190025472 /nfs/dbraw/zinc/02/54/72/190025472.db2.gz OGVHDMVAZSKEAV-GFCCVEGCSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257279474 190025473 /nfs/dbraw/zinc/02/54/73/190025473.db2.gz OGVHDMVAZSKEAV-GFCCVEGCSA-N 1 1 289.329 3.134 40 0 CGABMO Cc1nc(C[NH+]2CCC(Cc3ccncc3)CC2)cs1 ZINC000257273291 190024583 /nfs/dbraw/zinc/02/45/83/190024583.db2.gz NFZZRBAGQKBQFD-UHFFFAOYSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1ccnc([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000257301692 190030710 /nfs/dbraw/zinc/03/07/10/190030710.db2.gz RZLHTMCOBQBBON-CYBMUJFWSA-N 1 1 289.329 3.053 40 0 CGABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000257301692 190030711 /nfs/dbraw/zinc/03/07/11/190030711.db2.gz RZLHTMCOBQBBON-CYBMUJFWSA-N 1 1 289.329 3.053 40 0 CGABMO COc1ccccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000257318162 190032661 /nfs/dbraw/zinc/03/26/61/190032661.db2.gz VMSWCVFCLDGABF-ZDUSSCGKSA-N 1 1 288.416 3.216 40 0 CGABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C)CC)nc1 ZINC000072212721 256714051 /nfs/dbraw/zinc/71/40/51/256714051.db2.gz FESCBUXSPGKIQA-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO CC(C)C[N@H+]1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 ZINC000049169012 392037743 /nfs/dbraw/zinc/03/77/43/392037743.db2.gz JQSCJDIOWXMCNW-NSHDSACASA-N 1 1 261.344 3.147 40 0 biogenic,in-vitro CGABMO CC(C)C[N@@H+]1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 ZINC000049169012 392037746 /nfs/dbraw/zinc/03/77/46/392037746.db2.gz JQSCJDIOWXMCNW-NSHDSACASA-N 1 1 261.344 3.147 40 0 biogenic,in-vitro CGABMO CC(C)C[N@H+]1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 ZINC000049169012 392037749 /nfs/dbraw/zinc/03/77/49/392037749.db2.gz JQSCJDIOWXMCNW-NSHDSACASA-N 1 1 261.344 3.147 40 0 biogenic,in-vitro CGABMO CCN(C)c1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072212720 392198445 /nfs/dbraw/zinc/19/84/45/392198445.db2.gz ANWWBWWRLUAXCM-OAHLLOKOSA-N 1 1 261.413 3.331 40 0 CGABMO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@@H+]2CC=CCC2)c1 ZINC000006522337 397603328 /nfs/dbraw/zinc/60/33/28/397603328.db2.gz DOMNTPJHPATAFO-MRXNPFEDSA-N 1 1 289.419 3.120 40 0 CGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000072227475 292127604 /nfs/dbraw/zinc/12/76/04/292127604.db2.gz UZORDBIIHHJAET-GJZGRUSLSA-N 1 1 286.762 3.064 40 0 CGABMO CC[N@@H+](C[C@H](O)COc1ccccc1F)C1CCCCC1 ZINC000006438586 170201483 /nfs/dbraw/zinc/20/14/83/170201483.db2.gz YQXPOVUFLYDKQQ-HNNXBMFYSA-N 1 1 295.398 3.220 40 0 CGABMO COc1cccc(C=O)c1OCCC[N@H+]1CCCC[C@@H]1C ZINC000008731558 170351014 /nfs/dbraw/zinc/35/10/14/170351014.db2.gz YKTBDIHSLXXFHL-AWEZNQCLSA-N 1 1 291.391 3.151 40 0 CGABMO C[C@H](C[N@@H+](CCO)Cc1cccs1)c1ccccc1 ZINC000013997443 170615296 /nfs/dbraw/zinc/61/52/96/170615296.db2.gz RMKWJADYBVERGF-CQSZACIVSA-N 1 1 275.417 3.346 40 0 CGABMO [NH2+]=C(c1ccccc1)[C@@](O)(c1ccccc1)c1cccnc1 ZINC000020508956 171229445 /nfs/dbraw/zinc/22/94/45/171229445.db2.gz PHUZSAJDONRRRM-LJQANCHMSA-N 1 1 288.350 3.386 40 0 CGABMO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCNCC2)c1 ZINC000022126750 171354328 /nfs/dbraw/zinc/35/43/28/171354328.db2.gz KFFYFKUUFSRPDS-LJQANCHMSA-N 1 1 280.415 3.298 40 0 CGABMO C[C@H]1CCCC[N@H+]1Cc1ccc(N)cc1Br ZINC000037460438 173223837 /nfs/dbraw/zinc/22/38/37/173223837.db2.gz RPLBNZCOMMZAMU-JTQLQIEISA-N 1 1 283.213 3.406 40 0 CGABMO COc1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+](C)C3)n2)cc1 ZINC000072360688 176376644 /nfs/dbraw/zinc/37/66/44/176376644.db2.gz YVGKLLGSTHRTOV-OAHLLOKOSA-N 1 1 297.402 3.270 40 0 CGABMO c1cc2cc(C[N@H+]3CCC[C@H](c4cnccn4)C3)ccc2[nH]1 ZINC000072364592 176379751 /nfs/dbraw/zinc/37/97/51/176379751.db2.gz GNKPJUXWPDXGKJ-INIZCTEOSA-N 1 1 292.386 3.338 40 0 CGABMO C[N@@H+]1CC[C@H]2c3c4ccccc4[nH]c3C(C)(C)O[C@H]2C1 ZINC000001589311 277183694 /nfs/dbraw/zinc/18/36/94/277183694.db2.gz OOCBOEDELGAYRA-OCCSQVGLSA-N 1 1 270.376 3.221 40 0 CGABMO C[N@H+]1CC[C@H]2c3c4ccccc4[nH]c3C(C)(C)O[C@H]2C1 ZINC000001589311 277183695 /nfs/dbraw/zinc/18/36/95/277183695.db2.gz OOCBOEDELGAYRA-OCCSQVGLSA-N 1 1 270.376 3.221 40 0 CGABMO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H]2CCCC[C@@H]21 ZINC000005008140 278222551 /nfs/dbraw/zinc/22/25/51/278222551.db2.gz TYRBZUUHADCCGQ-BZSNNMDCSA-N 1 1 287.403 3.339 40 0 CGABMO CCC[NH+](CCC)c1ccc(N)cc1C(=O)N1CCCC1 ZINC000226323676 278782428 /nfs/dbraw/zinc/78/24/28/278782428.db2.gz NUVULDXKQYTHML-UHFFFAOYSA-N 1 1 289.423 3.131 40 0 CGABMO CC[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218911 279315520 /nfs/dbraw/zinc/31/55/20/279315520.db2.gz LPYWEABHKCGWAF-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000037530294 301227513 /nfs/dbraw/zinc/22/75/13/301227513.db2.gz JGRVELMYSIWKMD-BBWFWOEESA-N 1 1 291.435 3.021 40 0 CGABMO O=C1C[C@@]2(CN1c1ccccc1)CCCC[N@H+]2CC1CC1 ZINC000096071666 185087094 /nfs/dbraw/zinc/08/70/94/185087094.db2.gz WZKGQZLELYSGBW-GOSISDBHSA-N 1 1 284.403 3.058 40 0 CGABMO CNc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C2CC2)n1 ZINC000329013508 136377090 /nfs/dbraw/zinc/37/70/90/136377090.db2.gz MQDHNZPOPJWPST-GFCCVEGCSA-N 1 1 294.402 3.347 40 0 CGABMO Cc1ncsc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788929 345858922 /nfs/dbraw/zinc/85/89/22/345858922.db2.gz GMBYRMQRHBPQFT-NSHDSACASA-N 1 1 279.434 3.288 40 0 CGABMO CC[NH+](CC)CC[C@H]1Cn2cccc2CN(C2CCC2)C1 ZINC000585095565 346724251 /nfs/dbraw/zinc/72/42/51/346724251.db2.gz XRRJAMGSSWTPPT-INIZCTEOSA-N 1 1 289.467 3.204 40 0 CGABMO CC(C)n1nccc1-c1cnc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000585180181 346725898 /nfs/dbraw/zinc/72/58/98/346725898.db2.gz SOLPRGJDLXJAAN-MRXNPFEDSA-N 1 1 299.422 3.466 40 0 CGABMO C[NH+]1C[C@@H](c2ccccc2)C(=O)[C@H](c2ccccc2)C1 ZINC000001671197 368428304 /nfs/dbraw/zinc/42/83/04/368428304.db2.gz PVMGDJVUYFHZES-IRXDYDNUSA-N 1 1 265.356 3.069 40 0 CGABMO Cc1cc[nH+]c(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000015042347 368689147 /nfs/dbraw/zinc/68/91/47/368689147.db2.gz PTCICBFKIBOHOI-ZDUSSCGKSA-N 1 1 291.395 3.201 40 0 CGABMO CC[NH+](CC)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000019262324 368746235 /nfs/dbraw/zinc/74/62/35/368746235.db2.gz AMLOLOJKDZELSU-LBPRGKRZSA-N 1 1 261.196 3.335 40 0 CGABMO c1c2cccnc2[nH]c1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019346925 368748423 /nfs/dbraw/zinc/74/84/23/368748423.db2.gz CRYNNRGKLFWLID-INIZCTEOSA-N 1 1 292.386 3.338 40 0 CGABMO C[C@@H](C[N@H+](CCN(C)C)Cc1ccncc1)c1ccccc1 ZINC000019455993 368753430 /nfs/dbraw/zinc/75/34/30/368753430.db2.gz VLMVAJJDFXPVMX-KRWDZBQOSA-N 1 1 297.446 3.249 40 0 CGABMO C[C@@H](C[N@@H+](CCN(C)C)Cc1ccncc1)c1ccccc1 ZINC000019455993 368753433 /nfs/dbraw/zinc/75/34/33/368753433.db2.gz VLMVAJJDFXPVMX-KRWDZBQOSA-N 1 1 297.446 3.249 40 0 CGABMO c1cc(-c2ncnc3c2CC[N@@H+](CC2CC2)CC3)cs1 ZINC000096255348 370209367 /nfs/dbraw/zinc/20/93/67/370209367.db2.gz FBUYUOWLTFAZJI-UHFFFAOYSA-N 1 1 285.416 3.016 40 0 CGABMO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3C)C2)s1 ZINC000096049962 370202704 /nfs/dbraw/zinc/20/27/04/370202704.db2.gz SCZRIBLMIQJVFJ-INIZCTEOSA-N 1 1 292.448 3.033 40 0 CGABMO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccc(C)s2)n1 ZINC000257236124 190017502 /nfs/dbraw/zinc/01/75/02/190017502.db2.gz HAWUKFUSJKLBFA-ZDUSSCGKSA-N 1 1 261.394 3.425 40 0 CGABMO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc(C)s2)n1 ZINC000257236124 190017503 /nfs/dbraw/zinc/01/75/03/190017503.db2.gz HAWUKFUSJKLBFA-ZDUSSCGKSA-N 1 1 261.394 3.425 40 0 CGABMO CCCn1ccnc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257268673 190023673 /nfs/dbraw/zinc/02/36/73/190023673.db2.gz MMRTXMRGQPHQIY-UHFFFAOYSA-N 1 1 298.434 3.143 40 0 CGABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257266613 190022824 /nfs/dbraw/zinc/02/28/24/190022824.db2.gz MDSGOVNPTILQDC-CYBMUJFWSA-N 1 1 291.345 3.376 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1ccnc(-c2cc[nH]n2)c1 ZINC000257292664 190027666 /nfs/dbraw/zinc/02/76/66/190027666.db2.gz QMMSZELOZYATCY-HNNXBMFYSA-N 1 1 256.353 3.017 40 0 CGABMO CCn1nccc1-c1cccc(C[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257296080 190028717 /nfs/dbraw/zinc/02/87/17/190028717.db2.gz RBDVDGPLQWLKTL-HNNXBMFYSA-N 1 1 298.434 3.238 40 0 CGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1 ZINC000225234590 376298544 /nfs/dbraw/zinc/29/85/44/376298544.db2.gz KDAIQEMUAHLYBR-CYBMUJFWSA-N 1 1 285.391 3.014 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215921 256711477 /nfs/dbraw/zinc/71/14/77/256711477.db2.gz RDOGQRAKOBWOFL-OAHLLOKOSA-N 1 1 259.397 3.227 40 0 CGABMO Cc1cc(N2CCCC2)[nH+]cc1[C@H](O)c1ccccc1 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ZINC000257274482 190024428 /nfs/dbraw/zinc/02/44/28/190024428.db2.gz NLGCTLGCQRCYIA-AWEZNQCLSA-N 1 1 273.405 3.492 40 0 CGABMO CCn1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)c(C)n1 ZINC000257295024 190028489 /nfs/dbraw/zinc/02/84/89/190028489.db2.gz QWPZATUHZIXLPS-ZDUSSCGKSA-N 1 1 290.436 3.048 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000257299790 190029216 /nfs/dbraw/zinc/02/92/16/190029216.db2.gz RRPQTNPTBZYCDR-CYBMUJFWSA-N 1 1 270.380 3.060 40 0 CGABMO COc1cccc(C[N@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)c1 ZINC000257331530 190035482 /nfs/dbraw/zinc/03/54/82/190035482.db2.gz XTGSHSGLMCFGEM-HNNXBMFYSA-N 1 1 285.391 3.106 40 0 CGABMO CCOCC[C@H]1CCOC12C[NH+](Cc1sccc1C)C2 ZINC000253598823 377700849 /nfs/dbraw/zinc/70/08/49/377700849.db2.gz HRLFIVPJDYOUML-AWEZNQCLSA-N 1 1 295.448 3.074 40 0 CGABMO CN(C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212586 256714367 /nfs/dbraw/zinc/71/43/67/256714367.db2.gz GZXVSISFDHLQFZ-QGZVFWFLSA-N 1 1 281.403 3.485 40 0 CGABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)CC)nc1 ZINC000072212735 392198730 /nfs/dbraw/zinc/19/87/30/392198730.db2.gz DPIXXTIBCUTEJG-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO CCN(CC)c1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072212895 392198811 /nfs/dbraw/zinc/19/88/11/392198811.db2.gz DNEUAWBGKJIOIR-HNNXBMFYSA-N 1 1 261.413 3.473 40 0 CGABMO C[N@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214304 392198928 /nfs/dbraw/zinc/19/89/28/392198928.db2.gz AKLMETJRMVBGSA-GFCCVEGCSA-N 1 1 277.368 3.195 40 0 CGABMO CC[C@H](O)c1ccc(NCc2ccccc2)[nH+]c1C ZINC000072224412 392203246 /nfs/dbraw/zinc/20/32/46/392203246.db2.gz GHELFVHCUHXQLX-HNNXBMFYSA-N 1 1 256.349 3.446 40 0 CGABMO Cc1[nH+]c(NC2CC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224857 392204138 /nfs/dbraw/zinc/20/41/38/392204138.db2.gz AHNYBESQJKHGOX-INIZCTEOSA-N 1 1 254.333 3.046 40 0 CGABMO O=C1OC[C@@H]2CC[N@H+](C3CCCC3)Cc3ccccc3N12 ZINC000225483157 393012200 /nfs/dbraw/zinc/01/22/00/393012200.db2.gz QWXCOJVZLSDEGW-HNNXBMFYSA-N 1 1 286.375 3.160 40 0 biogenic,in-vitro CGABMO CC(C)=C(c1ccc(Cl)cc1)c1c(N)nc[nH+]c1N ZINC000001597009 397602705 /nfs/dbraw/zinc/60/27/05/397602705.db2.gz QVTGGJMFTGQPNE-UHFFFAOYSA-N 1 1 274.755 3.136 40 0 CGABMO CCCCC[C@H](C)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000004792401 170017942 /nfs/dbraw/zinc/01/79/42/170017942.db2.gz TZFIKPNSAKEHAV-DOTOQJQBSA-N 1 1 263.425 3.491 40 0 CGABMO CC[C@]12CCC[N@H+]3CC[C@@]4(c5cccc(O)c5N[C@@H]4CC1)[C@@H]32 ZINC000004830728 170025270 /nfs/dbraw/zinc/02/52/70/170025270.db2.gz CEZHSDCDXAKXAD-BVBHFADKSA-N 1 1 298.430 3.482 40 0 CGABMO CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000005961859 170162769 /nfs/dbraw/zinc/16/27/69/170162769.db2.gz WKDZPMICWBEODF-KRWDZBQOSA-N 1 1 291.435 3.253 40 0 CGABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](CCC(C)C)C3)nc2c1 ZINC000035446771 172203065 /nfs/dbraw/zinc/20/30/65/172203065.db2.gz LBUDMSNKFAOSBO-ZDUSSCGKSA-N 1 1 287.407 3.407 40 0 biogenic,in-vitro CGABMO COc1ccc2nc([C@H]3CC[N@H+](CCC(C)C)C3)[nH]c2c1 ZINC000035446771 172203066 /nfs/dbraw/zinc/20/30/66/172203066.db2.gz LBUDMSNKFAOSBO-ZDUSSCGKSA-N 1 1 287.407 3.407 40 0 biogenic,in-vitro CGABMO COc1ccc2nc([C@H]3CC[N@@H+](CCC(C)C)C3)[nH]c2c1 ZINC000035446771 172203068 /nfs/dbraw/zinc/20/30/68/172203068.db2.gz LBUDMSNKFAOSBO-ZDUSSCGKSA-N 1 1 287.407 3.407 40 0 biogenic,in-vitro CGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccs1 ZINC000044849047 175265413 /nfs/dbraw/zinc/26/54/13/175265413.db2.gz KGTWWAPVDULHNS-UHFFFAOYSA-N 1 1 297.383 3.172 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](Cc2ccnc(Cl)c2)C1 ZINC000072363353 176377603 /nfs/dbraw/zinc/37/76/03/176377603.db2.gz SZLQZGJRPFQZEP-CYBMUJFWSA-N 1 1 252.789 3.398 40 0 CGABMO Cc1nc(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)cs1 ZINC000072386121 176391173 /nfs/dbraw/zinc/39/11/73/176391173.db2.gz YWWKSKMLLWSITG-HNNXBMFYSA-N 1 1 287.432 3.301 40 0 CGABMO CCc1ncc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)cn1 ZINC000072397946 176395611 /nfs/dbraw/zinc/39/56/11/176395611.db2.gz RUGSWLHGYNBWLC-CYBMUJFWSA-N 1 1 285.391 3.241 40 0 CGABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc1 ZINC000072398236 176396560 /nfs/dbraw/zinc/39/65/60/176396560.db2.gz JPYBVISCVFIKRR-KDOFPFPSSA-N 1 1 295.386 3.055 40 0 CGABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc1 ZINC000072398236 176396561 /nfs/dbraw/zinc/39/65/61/176396561.db2.gz JPYBVISCVFIKRR-KDOFPFPSSA-N 1 1 295.386 3.055 40 0 CGABMO Cc1[nH+]c(N)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218597 279088642 /nfs/dbraw/zinc/08/86/42/279088642.db2.gz XOBMYCNMHYFXAI-MRXNPFEDSA-N 1 1 295.386 3.340 40 0 CGABMO CC(C)[C@@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000095534783 185008384 /nfs/dbraw/zinc/00/83/84/185008384.db2.gz PMDDIAXFTUFWGJ-CYBMUJFWSA-N 1 1 272.396 3.425 40 0 CGABMO C[N@H+]1CCCCC12CCN(Cc1cccs1)CC2 ZINC000096051190 185075046 /nfs/dbraw/zinc/07/50/46/185075046.db2.gz SKOUBDOEQNSSIJ-UHFFFAOYSA-N 1 1 264.438 3.198 40 0 CGABMO CC[C@H](C)[C@@H](C(OC)OC)[N@@H+](C)Cc1ccccc1 ZINC000035994528 344943492 /nfs/dbraw/zinc/94/34/92/344943492.db2.gz GYOWFCNRTAPUGL-ZFWWWQNUSA-N 1 1 265.397 3.152 40 0 CGABMO CC(C)N1C[C@]2(CCC[N@H+]([C@@H](C)c3ccccc3)C2)C1=O ZINC000585099441 346724401 /nfs/dbraw/zinc/72/44/01/346724401.db2.gz JNQCJPAYAYGKAR-MAUKXSAKSA-N 1 1 286.419 3.080 40 0 CGABMO Brc1ccc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c2c1 ZINC000605699535 348167206 /nfs/dbraw/zinc/16/72/06/348167206.db2.gz SCXMYUZLQGHPEE-VMAXQDLPSA-N 1 1 292.180 3.138 40 0 CGABMO CCCC[N@@H+](CCO)Cc1ccc(Br)cc1 ZINC000001672301 368430206 /nfs/dbraw/zinc/43/02/06/368430206.db2.gz ONWFBEZRGOLSOZ-UHFFFAOYSA-N 1 1 286.213 3.044 40 0 CGABMO CC(C)Oc1ccc(C(=O)OCC[N@H+]2CCC[C@@H]2C)cc1 ZINC000001712556 368433981 /nfs/dbraw/zinc/43/39/81/368433981.db2.gz LZLUDVCQIWQCNH-AWEZNQCLSA-N 1 1 291.391 3.115 40 0 CGABMO CCc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000005961847 368566034 /nfs/dbraw/zinc/56/60/34/368566034.db2.gz WKDZPMICWBEODF-QGZVFWFLSA-N 1 1 291.435 3.253 40 0 CGABMO CC1(C)CC=CC[N@@H+](Cc2ccnn2[C@H]2CCCCO2)C1 ZINC000012146540 368604980 /nfs/dbraw/zinc/60/49/80/368604980.db2.gz WRQGXTISCNZQJF-MRXNPFEDSA-N 1 1 289.423 3.370 40 0 CGABMO CCc1cccc2cc(C[NH2+]Cc3ccc(C)o3)c(=O)[nH]c21 ZINC000013998557 368672383 /nfs/dbraw/zinc/67/23/83/368672383.db2.gz CCLILRYFCZDPLF-UHFFFAOYSA-N 1 1 296.370 3.282 40 0 CGABMO CO[C@@H]1CCCC[C@@H]1OC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000017703786 368733382 /nfs/dbraw/zinc/73/33/82/368733382.db2.gz OZYVLMYWJFRCQM-CVEARBPZSA-N 1 1 297.439 3.142 40 0 CGABMO CC(C)c1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000027932543 368877834 /nfs/dbraw/zinc/87/78/34/368877834.db2.gz USRTXBVXDNGOSD-MRXNPFEDSA-N 1 1 287.407 3.122 40 0 CGABMO COc1ccc2ccccc2c1[C@H](CN)[NH+]1CCCCC1 ZINC000032055281 368923077 /nfs/dbraw/zinc/92/30/77/368923077.db2.gz KXFYSDUDMGNQDA-INIZCTEOSA-N 1 1 284.403 3.334 40 0 CGABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](CC4CC4)C3)o2)cc1 ZINC000049169974 369391138 /nfs/dbraw/zinc/39/11/38/369391138.db2.gz SHRHPMZJKWOGLI-HNNXBMFYSA-N 1 1 283.375 3.244 40 0 biogenic,in-vitro CGABMO Nc1cc(Nc2ccc(Cl)cc2)nc(C2CC2)[nH+]1 ZINC000049467602 369402976 /nfs/dbraw/zinc/40/29/76/369402976.db2.gz ZQZKXVRTHRZVLK-UHFFFAOYSA-N 1 1 260.728 3.333 40 0 CGABMO C[N@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358360 369817884 /nfs/dbraw/zinc/81/78/84/369817884.db2.gz IQZMCBJYRVGMQV-ZDUSSCGKSA-N 1 1 271.339 3.092 40 0 CGABMO C[C@H]([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000089261706 370039414 /nfs/dbraw/zinc/03/94/14/370039414.db2.gz YDCYLUPVOWLCPG-YFKPBYRVSA-N 1 1 258.108 3.063 40 0 CGABMO CNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C)n1 ZINC000329070352 374399713 /nfs/dbraw/zinc/39/97/13/374399713.db2.gz ZGJAKJRFCYLVAF-UHFFFAOYSA-N 1 1 288.782 3.043 40 0 CGABMO c1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H]1c1cnccn1)CO2 ZINC000257209025 190012190 /nfs/dbraw/zinc/01/21/90/190012190.db2.gz BOQRGSWHQKWTKQ-QGZVFWFLSA-N 1 1 293.370 3.090 40 0 CGABMO Cc1cccc(C[C@@H]2CCC[N@H+](Cc3nccs3)C2)n1 ZINC000257209833 190012495 /nfs/dbraw/zinc/01/24/95/190012495.db2.gz BSBRRHUJDNNFJE-AWEZNQCLSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1cccc(C[C@@H]2CCC[N@@H+](Cc3nccs3)C2)n1 ZINC000257209833 190012496 /nfs/dbraw/zinc/01/24/96/190012496.db2.gz BSBRRHUJDNNFJE-AWEZNQCLSA-N 1 1 287.432 3.301 40 0 CGABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2sccc2C)n1 ZINC000257229502 190016182 /nfs/dbraw/zinc/01/61/82/190016182.db2.gz FYIMGRMGQOCEDD-ZDUSSCGKSA-N 1 1 288.420 3.225 40 0 CGABMO CCCn1nccc1-c1ccc(C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000257219474 190014186 /nfs/dbraw/zinc/01/41/86/190014186.db2.gz DGXGGXCTDQOCGQ-INIZCTEOSA-N 1 1 298.434 3.239 40 0 CGABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000257256651 190021288 /nfs/dbraw/zinc/02/12/88/190021288.db2.gz KMJHAAFGWBQDEG-MRXNPFEDSA-N 1 1 294.402 3.199 40 0 CGABMO Cc1cc(-c2ccnn2C)nc([C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257305043 190030058 /nfs/dbraw/zinc/03/00/58/190030058.db2.gz SOEMNVOEMKMHBC-INIZCTEOSA-N 1 1 299.422 3.121 40 0 CGABMO Cc1cc(-c2ccnn2C)nc([C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257305044 190030349 /nfs/dbraw/zinc/03/03/49/190030349.db2.gz SOEMNVOEMKMHBC-MRXNPFEDSA-N 1 1 299.422 3.121 40 0 CGABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257340493 190036831 /nfs/dbraw/zinc/03/68/31/190036831.db2.gz ZGJMHBZSDPNBCU-QGZVFWFLSA-N 1 1 298.434 3.029 40 0 CGABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257344963 190037555 /nfs/dbraw/zinc/03/75/55/190037555.db2.gz ZZKAEHWQAFGZPN-HNNXBMFYSA-N 1 1 285.391 3.106 40 0 CGABMO c1coc(C[N@@H+]2CCC[C@H]2COc2ccccc2)c1 ZINC000093364482 249037478 /nfs/dbraw/zinc/03/74/78/249037478.db2.gz ROPNNEVXLIBHMH-AWEZNQCLSA-N 1 1 257.333 3.323 40 0 CGABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216093 285262087 /nfs/dbraw/zinc/26/20/87/285262087.db2.gz LDIARBLEWKFEPN-OAHLLOKOSA-N 1 1 259.397 3.229 40 0 CGABMO C[N@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214303 392198530 /nfs/dbraw/zinc/19/85/30/392198530.db2.gz AKLMETJRMVBGSA-LBPRGKRZSA-N 1 1 277.368 3.195 40 0 CGABMO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072214483 392198646 /nfs/dbraw/zinc/19/86/46/392198646.db2.gz BUVCPTNWBRLHEV-ZDUSSCGKSA-N 1 1 291.395 3.220 40 0 CGABMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)cnc1N ZINC000072218430 392200277 /nfs/dbraw/zinc/20/02/77/392200277.db2.gz BGPKIXQFKWCCHE-MRXNPFEDSA-N 1 1 267.376 3.309 40 0 CGABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000072228044 392204481 /nfs/dbraw/zinc/20/44/81/392204481.db2.gz WCFWNGQDFGHDJH-QZTJIDSGSA-N 1 1 294.398 3.227 40 0 CGABMO C[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1C(=O)[C@H]2CC[C@@H]1C2 ZINC000005048632 170060828 /nfs/dbraw/zinc/06/08/28/170060828.db2.gz GSYMIHNIKDTMFJ-PQEBFOHHSA-N 1 1 271.404 3.165 40 0 CGABMO Cc1c[nH]c([C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH+]1 ZINC000257257479 274670536 /nfs/dbraw/zinc/67/05/36/274670536.db2.gz KPTOTJUYDXXWEJ-SNVBAGLBSA-N 1 1 296.296 3.126 40 0 CGABMO C[N@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000049169091 277173886 /nfs/dbraw/zinc/17/38/86/277173886.db2.gz LWJGGVGLWDLQIK-QMMMGPOBSA-N 1 1 269.270 3.001 40 0 biogenic,in-vitro CGABMO C[N@@H+]1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000049169091 277173887 /nfs/dbraw/zinc/17/38/87/277173887.db2.gz LWJGGVGLWDLQIK-QMMMGPOBSA-N 1 1 269.270 3.001 40 0 biogenic,in-vitro CGABMO C[N@H+]1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000049169091 277173889 /nfs/dbraw/zinc/17/38/89/277173889.db2.gz LWJGGVGLWDLQIK-QMMMGPOBSA-N 1 1 269.270 3.001 40 0 biogenic,in-vitro CGABMO Cc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)n1 ZINC000019236258 281216330 /nfs/dbraw/zinc/21/63/30/281216330.db2.gz REEPGZXCPHLYHU-QGZVFWFLSA-N 1 1 284.407 3.241 40 0 CGABMO Cc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)n1 ZINC000019236258 281216331 /nfs/dbraw/zinc/21/63/31/281216331.db2.gz REEPGZXCPHLYHU-QGZVFWFLSA-N 1 1 284.407 3.241 40 0 CGABMO CN(C)CC[N@H+]1C[C@H]2Cc3ccccc3[C@@H]1c1ccccc12 ZINC000019364663 289160045 /nfs/dbraw/zinc/16/00/45/289160045.db2.gz MXADPIROBQAHCF-OXQOHEQNSA-N 1 1 292.426 3.293 40 0 CGABMO C[NH+](C)CCN1C[C@H]2Cc3ccccc3[C@@H]1c1ccccc12 ZINC000019364663 289160048 /nfs/dbraw/zinc/16/00/48/289160048.db2.gz MXADPIROBQAHCF-OXQOHEQNSA-N 1 1 292.426 3.293 40 0 CGABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1 ZINC000095534089 185006622 /nfs/dbraw/zinc/00/66/22/185006622.db2.gz PLTLIKHGUSDFCQ-CQSZACIVSA-N 1 1 298.777 3.482 40 0 CGABMO C[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000096073306 185088122 /nfs/dbraw/zinc/08/81/22/185088122.db2.gz KTYKHZUYFLNWKG-NVXWUHKLSA-N 1 1 259.393 3.120 40 0 CGABMO C[N@H+]1CC[C@@H](OCc2ccncc2)[C@@H](Cc2ccccc2)C1 ZINC000096110314 185101188 /nfs/dbraw/zinc/10/11/88/185101188.db2.gz PHAQLPBOQWWQPH-RBUKOAKNSA-N 1 1 296.414 3.161 40 0 CGABMO Fc1cccc(F)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121283990 370848480 /nfs/dbraw/zinc/84/84/80/370848480.db2.gz RWXWFBRLKRIMNI-NSHDSACASA-N 1 1 277.318 3.068 40 0 CGABMO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccnc2Cl)no1 ZINC000019496388 368754326 /nfs/dbraw/zinc/75/43/26/368754326.db2.gz ZEMSKFSGTAUIPT-JTQLQIEISA-N 1 1 292.770 3.159 40 0 CGABMO C[C@H]1CCCC[N@H+]1Cc1nc(-c2cccnc2Cl)no1 ZINC000019496388 368754332 /nfs/dbraw/zinc/75/43/32/368754332.db2.gz ZEMSKFSGTAUIPT-JTQLQIEISA-N 1 1 292.770 3.159 40 0 CGABMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000049169173 369391225 /nfs/dbraw/zinc/39/12/25/369391225.db2.gz TVNJNNBPRBWNLQ-LBPRGKRZSA-N 1 1 277.755 3.021 40 0 biogenic,in-vitro CGABMO c1cnc2[nH]c([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000049168791 369391307 /nfs/dbraw/zinc/39/13/07/369391307.db2.gz YWZDCCAMBWWCFD-AWEZNQCLSA-N 1 1 284.407 3.328 40 0 biogenic,in-vitro CGABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257302196 190030582 /nfs/dbraw/zinc/03/05/82/190030582.db2.gz SBXBNKUCTGUTIF-OAHLLOKOSA-N 1 1 280.375 3.189 40 0 CGABMO COc1ccc(Cc2cnc([C@H]3CCC[N@@H+]3C)o2)cc1 ZINC000257314473 190032721 /nfs/dbraw/zinc/03/27/21/190032721.db2.gz UXDVFPCQHZYKPZ-OAHLLOKOSA-N 1 1 272.348 3.041 40 0 CGABMO COc1ccc(Cc2cnc([C@H]3CCC[N@H+]3C)o2)cc1 ZINC000257314473 190032722 /nfs/dbraw/zinc/03/27/22/190032722.db2.gz UXDVFPCQHZYKPZ-OAHLLOKOSA-N 1 1 272.348 3.041 40 0 CGABMO CCC(CC)[NH+]1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000196367960 376118983 /nfs/dbraw/zinc/11/89/83/376118983.db2.gz DDWDAWLJRHKZHU-ARFHVFGLSA-N 1 1 262.441 3.005 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@H]3CCC[C@H]32)C1 ZINC000242649079 376782725 /nfs/dbraw/zinc/78/27/25/376782725.db2.gz RUBZSLWQDHSQAX-XWTMOSNGSA-N 1 1 292.467 3.083 40 0 CGABMO C1CCC(O[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@H]3CCC[C@H]32)C1 ZINC000242649079 376782732 /nfs/dbraw/zinc/78/27/32/376782732.db2.gz RUBZSLWQDHSQAX-XWTMOSNGSA-N 1 1 292.467 3.083 40 0 CGABMO OC[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCCC1 ZINC000070452967 285289142 /nfs/dbraw/zinc/28/91/42/285289142.db2.gz OJELHPRMSCADBY-GFCCVEGCSA-N 1 1 260.164 3.123 40 0 CGABMO C[C@H]1CCC[N@@H+]([C@@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000022172217 391944521 /nfs/dbraw/zinc/94/45/21/391944521.db2.gz XRGUJSFMOCLWLG-FZMZJTMJSA-N 1 1 286.341 3.437 40 0 CGABMO C[C@H]1CCC[N@H+]([C@@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000022172217 391944523 /nfs/dbraw/zinc/94/45/23/391944523.db2.gz XRGUJSFMOCLWLG-FZMZJTMJSA-N 1 1 286.341 3.437 40 0 CGABMO Cc1cc(NC(C)C)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223007 392203275 /nfs/dbraw/zinc/20/32/75/392203275.db2.gz USKZXLYHVKNADF-MRXNPFEDSA-N 1 1 256.349 3.292 40 0 CGABMO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082323879 392223042 /nfs/dbraw/zinc/22/30/42/392223042.db2.gz OOAOQYUOZFELGT-CQSZACIVSA-N 1 1 274.408 3.399 40 0 CGABMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000006055947 170172673 /nfs/dbraw/zinc/17/26/73/170172673.db2.gz HAOASDQKFXFZSW-KRWDZBQOSA-N 1 1 291.435 3.308 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCOc1ccccc1C=O ZINC000020131615 171020159 /nfs/dbraw/zinc/02/01/59/171020159.db2.gz GMQXTQDCFHLWPU-HNNXBMFYSA-N 1 1 261.365 3.142 40 0 CGABMO C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2C2CC2)C[C@H](C)O1 ZINC000072398465 176396370 /nfs/dbraw/zinc/39/63/70/176396370.db2.gz ZHRCOQSHJCKLMB-TXEJJXNPSA-N 1 1 285.391 3.050 40 0 CGABMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)cc(O)cc1C ZINC000030731128 276005169 /nfs/dbraw/zinc/00/51/69/276005169.db2.gz BWDXZCNWLNJBBI-HNNXBMFYSA-N 1 1 290.407 3.212 40 0 in-vitro CGABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213781 277394974 /nfs/dbraw/zinc/39/49/74/277394974.db2.gz UTPADXRTRZFZKM-OAHLLOKOSA-N 1 1 259.397 3.449 40 0 CGABMO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000367704556 527534948 /nfs/dbraw/zinc/53/49/48/527534948.db2.gz OXLUPQOMIPTFBA-OKACTXMXSA-N 1 1 281.403 3.313 40 0 CGABMO [NH3+][C@@H](c1nc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534012 185007449 /nfs/dbraw/zinc/00/74/49/185007449.db2.gz RELGPSCXGGLCSE-LLVKDONJSA-N 1 1 290.779 3.235 40 0 CGABMO CO[C@@H]1CC[N@@H+](Cc2ccoc2)C[C@@H]1Cc1ccccc1 ZINC000096110150 185101032 /nfs/dbraw/zinc/10/10/32/185101032.db2.gz VYVTZSODRBQMKQ-ZWKOTPCHSA-N 1 1 285.387 3.359 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000205674126 346283147 /nfs/dbraw/zinc/28/31/47/346283147.db2.gz HMSDKEHUNWRCTA-LBPRGKRZSA-N 1 1 261.394 3.159 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000205674110 346283288 /nfs/dbraw/zinc/28/32/88/346283288.db2.gz HMSDKEHUNWRCTA-GFCCVEGCSA-N 1 1 261.394 3.159 40 0 CGABMO C[NH+]1C[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)C1 ZINC000001671198 368429046 /nfs/dbraw/zinc/42/90/46/368429046.db2.gz PVMGDJVUYFHZES-IAGOWNOFSA-N 1 1 265.356 3.069 40 0 CGABMO CC[N@@H+](CCO)C1c2ccccc2-c2ccccc21 ZINC000001670030 368429086 /nfs/dbraw/zinc/42/90/86/368429086.db2.gz LDYTZWPTHCIHBT-UHFFFAOYSA-N 1 1 253.345 3.071 40 0 CGABMO CCCC[C@H](c1ccc(F)cc1)N1CCC([NH3+])CC1 ZINC000013998357 368672298 /nfs/dbraw/zinc/67/22/98/368672298.db2.gz OMDYWRPENFFNSI-MRXNPFEDSA-N 1 1 264.388 3.480 40 0 CGABMO CCC[C@@H](C(=O)c1cccc2c1OCO2)[NH+]1CCCCC1 ZINC000071789380 369811524 /nfs/dbraw/zinc/81/15/24/369811524.db2.gz LWRKXAAHFMCHTJ-AWEZNQCLSA-N 1 1 289.375 3.253 40 0 in-vitro CGABMO Cc1cc(=S)[nH]cc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218324 369815033 /nfs/dbraw/zinc/81/50/33/369815033.db2.gz DHLWOVZWOWNGMB-CYBMUJFWSA-N 1 1 250.411 3.472 40 0 CGABMO Cc1cc([C@H]2CCC[N@@H+]2CC(C)C)cnc1N(C)C ZINC000072218624 369815707 /nfs/dbraw/zinc/81/57/07/369815707.db2.gz ICCYBXUDVQPWME-OAHLLOKOSA-N 1 1 261.413 3.249 40 0 CGABMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Cl)cc1)C2 ZINC000096268549 370209431 /nfs/dbraw/zinc/20/94/31/370209431.db2.gz HAIFWKXAQYYLJL-INIZCTEOSA-N 1 1 278.827 3.258 40 0 CGABMO CCc1[nH+]ccn1-c1cc(N)cc(C(F)(F)F)c1 ZINC000116937182 370575458 /nfs/dbraw/zinc/57/54/58/370575458.db2.gz TWOSMOLQZCRNED-UHFFFAOYSA-N 1 1 255.243 3.036 40 0 CGABMO CC(C)c1cc(C[NH2+]Cc2cc(F)cc(F)c2)n(C)n1 ZINC000256051975 190003430 /nfs/dbraw/zinc/00/34/30/190003430.db2.gz LIUMOSVMRMDYEU-UHFFFAOYSA-N 1 1 279.334 3.112 40 0 CGABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257200965 190010447 /nfs/dbraw/zinc/01/04/47/190010447.db2.gz AFNZXEDPAGBDKG-AWEZNQCLSA-N 1 1 280.375 3.189 40 0 CGABMO C[N@H+]1CCC[C@@H](c2cnc(Cc3ccccc3F)cn2)C1 ZINC000257209484 190012187 /nfs/dbraw/zinc/01/21/87/190012187.db2.gz BQOSWEDZBDVRFO-CQSZACIVSA-N 1 1 285.366 3.016 40 0 CGABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000257261893 190022280 /nfs/dbraw/zinc/02/22/80/190022280.db2.gz LJFMYOLBIPAPRX-MRXNPFEDSA-N 1 1 271.364 3.146 40 0 CGABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000257261893 190022281 /nfs/dbraw/zinc/02/22/81/190022281.db2.gz LJFMYOLBIPAPRX-MRXNPFEDSA-N 1 1 271.364 3.146 40 0 CGABMO Nc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212443 392197625 /nfs/dbraw/zinc/19/76/25/392197625.db2.gz QYOUQLLGDDWKAA-INIZCTEOSA-N 1 1 267.376 3.391 40 0 CGABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213721 392199064 /nfs/dbraw/zinc/19/90/64/392199064.db2.gz HSCRDEAPPJFXFJ-OAHLLOKOSA-N 1 1 259.397 3.449 40 0 CGABMO C[N@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216627 392200666 /nfs/dbraw/zinc/20/06/66/392200666.db2.gz FFRHSDIQUKSPAE-OAHLLOKOSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000072227477 292128476 /nfs/dbraw/zinc/12/84/76/292128476.db2.gz UZORDBIIHHJAET-CABCVRRESA-N 1 1 286.762 3.064 40 0 CGABMO COc1ccc(Nc2cc(C)[nH+]c(N3CCCC3)n2)cc1 ZINC000004924634 170041763 /nfs/dbraw/zinc/04/17/63/170041763.db2.gz KZYQKNTVCGOSIL-UHFFFAOYSA-N 1 1 284.363 3.137 40 0 CGABMO O=C(CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(O)cc1 ZINC000004934879 170042279 /nfs/dbraw/zinc/04/22/79/170042279.db2.gz PTWNVIAULWFEML-KBPBESRZSA-N 1 1 273.376 3.087 40 0 CGABMO CCc1ccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000008767595 170354820 /nfs/dbraw/zinc/35/48/20/170354820.db2.gz VMDAXPFTCFMPFN-UXLLHSPISA-N 1 1 291.435 3.252 40 0 CGABMO Cc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C)C2)c1 ZINC000072358359 176376469 /nfs/dbraw/zinc/37/64/69/176376469.db2.gz RYBIMNTZYSXCTF-HNNXBMFYSA-N 1 1 267.376 3.261 40 0 CGABMO c1cc2cc(C[N@H+]3CCC[C@@H](c4cnccn4)C3)ccc2[nH]1 ZINC000072364593 176379586 /nfs/dbraw/zinc/37/95/86/176379586.db2.gz GNKPJUXWPDXGKJ-MRXNPFEDSA-N 1 1 292.386 3.338 40 0 CGABMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)ccc(N)c1C ZINC000077271430 177247238 /nfs/dbraw/zinc/24/72/38/177247238.db2.gz KMKVPTQSHPZTAQ-HNNXBMFYSA-N 1 1 289.423 3.089 40 0 in-vitro CGABMO Cc1ccc2[nH]c([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000035446549 281162730 /nfs/dbraw/zinc/16/27/30/281162730.db2.gz ZFHFEODIKXUBJA-LBPRGKRZSA-N 1 1 255.365 3.213 40 0 biogenic,in-vitro CGABMO Cc1ccc2nc([C@H]3CC[N@@H+](C4CCC4)C3)[nH]c2c1 ZINC000035446549 281162733 /nfs/dbraw/zinc/16/27/33/281162733.db2.gz ZFHFEODIKXUBJA-LBPRGKRZSA-N 1 1 255.365 3.213 40 0 biogenic,in-vitro CGABMO Cc1ccc2nc([C@H]3CC[N@H+](C4CCC4)C3)[nH]c2c1 ZINC000035446549 281162735 /nfs/dbraw/zinc/16/27/35/281162735.db2.gz ZFHFEODIKXUBJA-LBPRGKRZSA-N 1 1 255.365 3.213 40 0 biogenic,in-vitro CGABMO [NH3+][C@H](c1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000095533442 185006591 /nfs/dbraw/zinc/00/65/91/185006591.db2.gz LPPNWFIGAQPCQC-ZDUSSCGKSA-N 1 1 284.750 3.173 40 0 CGABMO C[C@]12CCC[N@@H+](Cc3ccccc3)[C@H]1CCCC2=O ZINC000095951583 185039995 /nfs/dbraw/zinc/03/99/95/185039995.db2.gz UHHJPFURMOOFJW-RDJZCZTQSA-N 1 1 257.377 3.410 40 0 CGABMO CC[C@@H]1[N@@H+](Cc2cccs2)CCC[C@]12CCC(=O)N2C ZINC000096052411 185074013 /nfs/dbraw/zinc/07/40/13/185074013.db2.gz XEAHGPWUKVHLFM-HOCLYGCPSA-N 1 1 292.448 3.114 40 0 CGABMO c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC3CC3)C2)nc1 ZINC000096109182 185099324 /nfs/dbraw/zinc/09/93/24/185099324.db2.gz UYNBIOWVHNSPRC-AEFFLSMTSA-N 1 1 286.419 3.110 40 0 CGABMO C[N@H+]1CC[C@@H](NCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000012113180 344879486 /nfs/dbraw/zinc/87/94/86/344879486.db2.gz MGDXGLUHKKGPKT-IEBWSBKVSA-N 1 1 298.405 3.403 40 0 CGABMO CN1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000012113180 344879489 /nfs/dbraw/zinc/87/94/89/344879489.db2.gz MGDXGLUHKKGPKT-IEBWSBKVSA-N 1 1 298.405 3.403 40 0 CGABMO CCC[N@@H+](CC)CCc1c[nH]c2ccc(OC)cc12 ZINC000059043940 345205923 /nfs/dbraw/zinc/20/59/23/345205923.db2.gz OQHFIOKNGNJPPF-UHFFFAOYSA-N 1 1 260.381 3.451 40 0 in-vitro CGABMO COc1ccc2c(c1O)-c1ccccc1CC[N@H+](C)C2 ZINC000000518229 368382360 /nfs/dbraw/zinc/38/23/60/368382360.db2.gz ZGZXDJPQXTUPSG-UHFFFAOYSA-N 1 1 269.344 3.056 40 0 biogenic CGABMO c1ccc2c(c1)N[C@H]1[C@H]3[C@H]4CCCC[C@H]4C[N@@H+]3CC[C@@H]21 ZINC000003999122 368525983 /nfs/dbraw/zinc/52/59/83/368525983.db2.gz LKHAUIVLOLWBIF-AIGAYMNCSA-N 1 1 268.404 3.459 40 0 CGABMO C[C@@H]1C[C@@H](C)CC[C@H]1COC(=O)C[NH+]1CCCCC1 ZINC000004094084 368529732 /nfs/dbraw/zinc/52/97/32/368529732.db2.gz FLJUKBIGDILGBI-ZNMIVQPWSA-N 1 1 267.413 3.088 40 0 CGABMO CCC[C@@H](C(=O)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000013682144 368661163 /nfs/dbraw/zinc/66/11/63/368661163.db2.gz AGRVUDWDZKZCAA-AWEZNQCLSA-N 1 1 291.391 3.151 40 0 in-vitro CGABMO c1ccc([C@H]2CCN[C@@H]3CCCC[N@@H+](CC4CC4)[C@H]23)cc1 ZINC000019373930 368750744 /nfs/dbraw/zinc/75/07/44/368750744.db2.gz XTVNLFQGNZJUNO-GUDVDZBRSA-N 1 1 284.447 3.397 40 0 CGABMO c1ccc([C@H]2CCN[C@@H]3CCCC[N@H+](CC4CC4)[C@H]23)cc1 ZINC000019373930 368750749 /nfs/dbraw/zinc/75/07/49/368750749.db2.gz XTVNLFQGNZJUNO-GUDVDZBRSA-N 1 1 284.447 3.397 40 0 CGABMO c1ccc([C@H]2CC[NH2+][C@@H]3CCCCN(CC4CC4)[C@H]23)cc1 ZINC000019373930 368750753 /nfs/dbraw/zinc/75/07/53/368750753.db2.gz XTVNLFQGNZJUNO-GUDVDZBRSA-N 1 1 284.447 3.397 40 0 CGABMO CCCCCCOc1nsnc1C1=CC[N@H+](C)CC1 ZINC000029056149 368891701 /nfs/dbraw/zinc/89/17/01/368891701.db2.gz GAFUHSRIKPIBGM-UHFFFAOYSA-N 1 1 281.425 3.216 40 0 in-vitro CGABMO CCCCCCOc1nsnc1C1=CC[N@@H+](C)CC1 ZINC000029056149 368891706 /nfs/dbraw/zinc/89/17/06/368891706.db2.gz GAFUHSRIKPIBGM-UHFFFAOYSA-N 1 1 281.425 3.216 40 0 in-vitro CGABMO Cc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCC4)C3)o2)cc1 ZINC000049169898 369390577 /nfs/dbraw/zinc/39/05/77/369390577.db2.gz JWKYIPBCVJTXME-AWEZNQCLSA-N 1 1 283.375 3.387 40 0 biogenic,in-vitro CGABMO Cc1nc(N(C)C)ccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072218760 369815504 /nfs/dbraw/zinc/81/55/04/369815504.db2.gz SKYTUHJGSNISBT-HNNXBMFYSA-N 1 1 261.413 3.391 40 0 CGABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218746 369816291 /nfs/dbraw/zinc/81/62/91/369816291.db2.gz YCDCQONKHUWMPG-HNNXBMFYSA-N 1 1 261.413 3.393 40 0 CGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1 ZINC000072227469 369817793 /nfs/dbraw/zinc/81/77/93/369817793.db2.gz JGDHKPOEUXPGRX-CABCVRRESA-N 1 1 286.762 3.064 40 0 CGABMO c1ccc2c(c1)N[C@@H]1[C@H]2CC[N@H+]2C[C@@H]3CCCC[C@@H]3[C@@H]12 ZINC000102805622 370312083 /nfs/dbraw/zinc/31/20/83/370312083.db2.gz LKHAUIVLOLWBIF-CSAOUQSSSA-N 1 1 268.404 3.459 40 0 CGABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccccn2)on1 ZINC000019120320 541854300 /nfs/dbraw/zinc/85/43/00/541854300.db2.gz RFCIHAHTBRKURH-HNNXBMFYSA-N 1 1 271.364 3.495 40 0 CGABMO CNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C)n1 ZINC000328964320 374398250 /nfs/dbraw/zinc/39/82/50/374398250.db2.gz BUQSIXIIRGIZBV-UHFFFAOYSA-N 1 1 282.391 3.125 40 0 CGABMO Fc1ccc(C[NH2+]Cc2cc(F)ccc2F)s1 ZINC000256053828 190004913 /nfs/dbraw/zinc/00/49/13/190004913.db2.gz TVEYVFCHLJZXAD-UHFFFAOYSA-N 1 1 257.280 3.455 40 0 CGABMO Cc1csc(-c2cc(C)nc([C@@H]3CCC[N@H+](C)C3)n2)n1 ZINC000257202998 190010831 /nfs/dbraw/zinc/01/08/31/190010831.db2.gz AOFHXXGJUJOWAJ-GFCCVEGCSA-N 1 1 288.420 3.026 40 0 CGABMO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)n1 ZINC000257202582 190011013 /nfs/dbraw/zinc/01/10/13/190011013.db2.gz AMLXQECEJMXOLM-ZDUSSCGKSA-N 1 1 289.329 3.053 40 0 CGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)n1 ZINC000257202582 190011014 /nfs/dbraw/zinc/01/10/14/190011014.db2.gz AMLXQECEJMXOLM-ZDUSSCGKSA-N 1 1 289.329 3.053 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257201139 190011061 /nfs/dbraw/zinc/01/10/61/190011061.db2.gz AGLRBVCBPOVSHF-INIZCTEOSA-N 1 1 267.376 3.165 40 0 CGABMO Cc1cc(CC[C@H]2CCC[N@H+]2Cc2ccccn2)ccn1 ZINC000257204188 190011210 /nfs/dbraw/zinc/01/12/10/190011210.db2.gz ATLCTGFJFXGTOW-GOSISDBHSA-N 1 1 281.403 3.382 40 0 CGABMO CC(C)n1nccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000257232196 190016610 /nfs/dbraw/zinc/01/66/10/190016610.db2.gz GJUHZUVNZXLBOT-CYBMUJFWSA-N 1 1 290.436 3.300 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1scnc1C ZINC000257253145 190020690 /nfs/dbraw/zinc/02/06/90/190020690.db2.gz JXSVUVUCAFQNSB-GFCCVEGCSA-N 1 1 276.409 3.210 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1scnc1C ZINC000257253145 190020691 /nfs/dbraw/zinc/02/06/91/190020691.db2.gz JXSVUVUCAFQNSB-GFCCVEGCSA-N 1 1 276.409 3.210 40 0 CGABMO c1cc(CC[C@@H]2CCC[N@H+]2Cc2ccncc2)ccn1 ZINC000257250038 190020019 /nfs/dbraw/zinc/02/00/19/190020019.db2.gz JKSURDDDMHPJMU-KRWDZBQOSA-N 1 1 267.376 3.074 40 0 CGABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000257307225 190031469 /nfs/dbraw/zinc/03/14/69/190031469.db2.gz SXSOLKYFRBIOJU-CYBMUJFWSA-N 1 1 289.329 3.053 40 0 CGABMO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000226724980 376371347 /nfs/dbraw/zinc/37/13/47/376371347.db2.gz CLGXEJOPRIEXHR-HZPDHXFCSA-N 1 1 291.435 3.282 40 0 CGABMO Cc1cc(N)[nH+]cc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218537 291929293 /nfs/dbraw/zinc/92/92/93/291929293.db2.gz UEZXOTJOEMPWPX-MRXNPFEDSA-N 1 1 295.386 3.340 40 0 CGABMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220576 391954720 /nfs/dbraw/zinc/95/47/20/391954720.db2.gz KYYGBOLBXWBOAP-AWEZNQCLSA-N 1 1 294.826 3.077 40 0 CGABMO C[N@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212064 392197649 /nfs/dbraw/zinc/19/76/49/392197649.db2.gz VGQAMJJNAUPNBL-MRXNPFEDSA-N 1 1 268.360 3.427 40 0 CGABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(CC)CC)nc1 ZINC000072212838 392198630 /nfs/dbraw/zinc/19/86/30/392198630.db2.gz QDCGDGAFWLTSGF-HNNXBMFYSA-N 1 1 261.413 3.475 40 0 CGABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215923 392199122 /nfs/dbraw/zinc/19/91/22/392199122.db2.gz UYIADHNZQDJRPI-OAHLLOKOSA-N 1 1 259.397 3.229 40 0 CGABMO Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N ZINC000072218468 392200380 /nfs/dbraw/zinc/20/03/80/392200380.db2.gz VMVLYISOMIAQHK-ZDUSSCGKSA-N 1 1 291.395 3.434 40 0 CGABMO CCNc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C)n1 ZINC000329055335 392677498 /nfs/dbraw/zinc/67/74/98/392677498.db2.gz VMUMHVSQNCFUKG-LBPRGKRZSA-N 1 1 282.391 3.168 40 0 CGABMO Cc1cc2cc(C[NH2+]Cc3ccco3)c(=O)[nH]c2cc1C ZINC000004130514 169936573 /nfs/dbraw/zinc/93/65/73/169936573.db2.gz YSTNAHQRSIVXTC-UHFFFAOYSA-N 1 1 282.343 3.028 40 0 CGABMO COCC[N@@H+](C)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777726 170015581 /nfs/dbraw/zinc/01/55/81/170015581.db2.gz HSDWGNMSFYTZSY-ZWKOTPCHSA-N 1 1 285.387 3.040 40 0 CGABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072348581 176373954 /nfs/dbraw/zinc/37/39/54/176373954.db2.gz UOHOXRMVAHSSJA-INIZCTEOSA-N 1 1 296.414 3.490 40 0 CGABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000078578443 177356124 /nfs/dbraw/zinc/35/61/24/177356124.db2.gz BSPSLHDMSSNQBQ-HNNXBMFYSA-N 1 1 274.408 3.310 40 0 CGABMO C[N@H+]1CCC[C@@H](Cc2cncc(Br)c2)CC1 ZINC000072366095 277053714 /nfs/dbraw/zinc/05/37/14/277053714.db2.gz YSKKYRUZXDPKRW-LLVKDONJSA-N 1 1 283.213 3.119 40 0 CGABMO Cc1cc(NCCC[NH3+])c2ccc(Cl)c(C)c2n1 ZINC000222688234 230398378 /nfs/dbraw/zinc/39/83/78/230398378.db2.gz POVHWQNFQVXNOD-UHFFFAOYSA-N 1 1 263.772 3.266 40 0 CGABMO CC(C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc[nH+]1 ZINC000329025673 136377721 /nfs/dbraw/zinc/37/77/21/136377721.db2.gz PHRQZFMRXQKCIE-CYBMUJFWSA-N 1 1 282.391 3.248 40 0 CGABMO C[N@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000059229689 345206592 /nfs/dbraw/zinc/20/65/92/345206592.db2.gz OFPJOWXBDHSDOQ-PKOBYXMFSA-N 1 1 278.399 3.495 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000205687421 346283151 /nfs/dbraw/zinc/28/31/51/346283151.db2.gz FWMVHDYBHYRDJX-JTQLQIEISA-N 1 1 261.291 3.198 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000205687421 346283152 /nfs/dbraw/zinc/28/31/52/346283152.db2.gz FWMVHDYBHYRDJX-JTQLQIEISA-N 1 1 261.291 3.198 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000124005164 187118343 /nfs/dbraw/zinc/11/83/43/187118343.db2.gz PWJBYTIHVANWKO-HNNXBMFYSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000124005164 187118344 /nfs/dbraw/zinc/11/83/44/187118344.db2.gz PWJBYTIHVANWKO-HNNXBMFYSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000124005164 187118345 /nfs/dbraw/zinc/11/83/45/187118345.db2.gz PWJBYTIHVANWKO-HNNXBMFYSA-N 1 1 292.386 3.338 40 0 CGABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(Cl)cc1)C2 ZINC000000191103 368312679 /nfs/dbraw/zinc/31/26/79/368312679.db2.gz XWGMSARSNQYGGL-PBWFPOADSA-N 1 1 279.767 3.122 40 0 CGABMO COc1cc2c(cc1OC)[C@@H](CC(C)C)[N@@H+](C)CC2 ZINC000003848582 368520737 /nfs/dbraw/zinc/52/07/37/368520737.db2.gz XLYGKISSKFHOEE-CQSZACIVSA-N 1 1 263.381 3.279 40 0 CGABMO Cc1cc(C)c(C[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1C ZINC000004573461 368552042 /nfs/dbraw/zinc/55/20/42/368552042.db2.gz YGAUHRIAVQQHDT-LZLYRXPVSA-N 1 1 275.436 3.246 40 0 CGABMO CC[NH+](CC)Cc1ccccc1I ZINC000016124461 368707170 /nfs/dbraw/zinc/70/71/70/368707170.db2.gz XQFQHCGPQLYBOG-UHFFFAOYSA-N 1 1 289.160 3.133 40 0 CGABMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cc[nH]n1 ZINC000037118597 369063407 /nfs/dbraw/zinc/06/34/07/369063407.db2.gz XTASNSYINKYZFF-CYBMUJFWSA-N 1 1 259.353 3.114 40 0 CGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1 ZINC000065740171 369685876 /nfs/dbraw/zinc/68/58/76/369685876.db2.gz CWLPAUNXIWGISO-UHFFFAOYSA-N 1 1 291.354 3.111 40 0 CGABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212680 369816329 /nfs/dbraw/zinc/81/63/29/369816329.db2.gz HOLWNCOTOWYOMR-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)n[nH]1 ZINC000257271032 190023666 /nfs/dbraw/zinc/02/36/66/190023666.db2.gz MWNWSLMXPVAIFZ-ZDUSSCGKSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)[nH]n1 ZINC000257271032 190023667 /nfs/dbraw/zinc/02/36/67/190023667.db2.gz MWNWSLMXPVAIFZ-ZDUSSCGKSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)[nH]n1 ZINC000257271032 190023668 /nfs/dbraw/zinc/02/36/68/190023668.db2.gz MWNWSLMXPVAIFZ-ZDUSSCGKSA-N 1 1 280.375 3.271 40 0 CGABMO C[N@H+]1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257285609 190027110 /nfs/dbraw/zinc/02/71/10/190027110.db2.gz PHYJMFMVFXFBBZ-CYBMUJFWSA-N 1 1 274.339 3.214 40 0 CGABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccnc3)C2)c2sccn12 ZINC000257273690 190024622 /nfs/dbraw/zinc/02/46/22/190024622.db2.gz NHSOPIXBCDZTDO-AWEZNQCLSA-N 1 1 298.415 3.089 40 0 CGABMO O=C(CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC000001615801 169726144 /nfs/dbraw/zinc/72/61/44/169726144.db2.gz WDJIDNFTQWOXFS-GJZGRUSLSA-N 1 1 257.377 3.381 40 0 CGABMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000034400323 391973565 /nfs/dbraw/zinc/97/35/65/391973565.db2.gz CHEMJXXSYPKSTH-AWEZNQCLSA-N 1 1 282.428 3.166 40 0 CGABMO CCN(CC)c1cc(C)c([C@H](O)c2ccccc2)c[nH+]1 ZINC000072223264 392202942 /nfs/dbraw/zinc/20/29/42/392202942.db2.gz UWTZKVNEWZENBW-QGZVFWFLSA-N 1 1 270.376 3.318 40 0 CGABMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C ZINC000006455040 397603338 /nfs/dbraw/zinc/60/33/38/397603338.db2.gz FMLHDYSHTHBTBB-CVEARBPZSA-N 1 1 291.435 3.424 40 0 CGABMO CC(C)Oc1ccc(C(=O)OCC[N@H+]2CCC[C@H]2C)cc1 ZINC000004416819 169966970 /nfs/dbraw/zinc/96/69/70/169966970.db2.gz LZLUDVCQIWQCNH-CQSZACIVSA-N 1 1 291.391 3.115 40 0 CGABMO C[N@H+]1CCCC(c2ccccc2)(c2ccccc2)[C@@H](O)C1 ZINC000004747926 170011207 /nfs/dbraw/zinc/01/12/07/170011207.db2.gz VQALXBBEVZUWGN-SFHVURJKSA-N 1 1 281.399 3.059 40 0 CGABMO C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000006486962 170205512 /nfs/dbraw/zinc/20/55/12/170205512.db2.gz KYCIKYWXPKTVPV-NSHDSACASA-N 1 1 251.757 3.397 40 0 CGABMO O=Cc1ccc(OCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000008731581 170351193 /nfs/dbraw/zinc/35/11/93/170351193.db2.gz SGOLQAMRYSPTGP-UHFFFAOYSA-N 1 1 295.382 3.326 40 0 CGABMO CCC[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038859514 174158038 /nfs/dbraw/zinc/15/80/38/174158038.db2.gz SWMBZKRVXLQPFU-ZDUSSCGKSA-N 1 1 285.391 3.158 40 0 CGABMO COc1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+](C)C3)n2)cc1 ZINC000072360689 176376976 /nfs/dbraw/zinc/37/69/76/176376976.db2.gz YVGKLLGSTHRTOV-HNNXBMFYSA-N 1 1 297.402 3.270 40 0 CGABMO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)c1 ZINC000072369377 176384162 /nfs/dbraw/zinc/38/41/62/176384162.db2.gz KEPHUZMFUJQULM-GFCCVEGCSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1ccc(F)c(C[N@H+]2CCC[C@@H](c3cnccn3)C2)c1 ZINC000072369377 176384163 /nfs/dbraw/zinc/38/41/63/176384163.db2.gz KEPHUZMFUJQULM-GFCCVEGCSA-N 1 1 289.329 3.134 40 0 CGABMO CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000077262058 177246486 /nfs/dbraw/zinc/24/64/86/177246486.db2.gz BDZJUPKMIUNOMZ-KKUMJFAQSA-N 1 1 298.434 3.314 40 0 biogenic,in-vitro CGABMO CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000077262058 177246487 /nfs/dbraw/zinc/24/64/87/177246487.db2.gz BDZJUPKMIUNOMZ-KKUMJFAQSA-N 1 1 298.434 3.314 40 0 biogenic,in-vitro CGABMO C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000022580131 275393515 /nfs/dbraw/zinc/39/35/15/275393515.db2.gz QHYOXODERCRGTD-XLAORIBOSA-N 1 1 276.468 3.230 40 0 CGABMO C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000022580131 275393516 /nfs/dbraw/zinc/39/35/16/275393516.db2.gz QHYOXODERCRGTD-XLAORIBOSA-N 1 1 276.468 3.230 40 0 CGABMO CC[N@@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211602 279315573 /nfs/dbraw/zinc/31/55/73/279315573.db2.gz UKVMAOJGYVKBPZ-SNVBAGLBSA-N 1 1 255.159 3.001 40 0 CGABMO CC[N@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211602 279315574 /nfs/dbraw/zinc/31/55/74/279315574.db2.gz UKVMAOJGYVKBPZ-SNVBAGLBSA-N 1 1 255.159 3.001 40 0 CGABMO Cc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227950 280971078 /nfs/dbraw/zinc/97/10/78/280971078.db2.gz OPTVSLMAFGKSFH-LSDHHAIUSA-N 1 1 286.762 3.064 40 0 CGABMO Cc1nc(-c2cc[nH]n2)cc([C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257247361 293138999 /nfs/dbraw/zinc/13/89/99/293138999.db2.gz IYQPBJBIEKAMLE-MRXNPFEDSA-N 1 1 285.395 3.111 40 0 CGABMO C[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000096073309 185088087 /nfs/dbraw/zinc/08/80/87/185088087.db2.gz KTYKHZUYFLNWKG-RDJZCZTQSA-N 1 1 259.393 3.120 40 0 CGABMO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000046960055 345047462 /nfs/dbraw/zinc/04/74/62/345047462.db2.gz WGYNEWDWBQAFCM-AWEZNQCLSA-N 1 1 288.435 3.155 40 0 CGABMO C[N@H+]1CCCCC12CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 ZINC000585102441 346724470 /nfs/dbraw/zinc/72/44/70/346724470.db2.gz LWKWOZDRDZPGEO-KRWDZBQOSA-N 1 1 290.451 3.210 40 0 CGABMO CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CC[N@H+]2C ZINC000001578734 368421059 /nfs/dbraw/zinc/42/10/59/368421059.db2.gz JYRBQCWXZNDERM-DJIMGWMZSA-N 1 1 259.393 3.326 40 0 in-vitro CGABMO Cc1ccsc1C[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000013991353 368672429 /nfs/dbraw/zinc/67/24/29/368672429.db2.gz XFLLYAHCFUKFJH-AWEZNQCLSA-N 1 1 275.417 3.440 40 0 CGABMO C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CC[NH+](C2CCCCC2)CC1 ZINC000019790062 368767239 /nfs/dbraw/zinc/76/72/39/368767239.db2.gz DIIFCJPVJUHLRT-IXDOHACOSA-N 1 1 274.452 3.149 40 0 CGABMO Nc1ccc2[nH]c(Cc3ccc(Cl)cc3)[nH+]c2c1 ZINC000019807338 368768955 /nfs/dbraw/zinc/76/89/55/368768955.db2.gz XFUUDDJRNKDWME-UHFFFAOYSA-N 1 1 257.724 3.389 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccnc2)no1 ZINC000019119459 368744574 /nfs/dbraw/zinc/74/45/74/368744574.db2.gz PMHXZNOVPUIBDC-MRXNPFEDSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cccnc2)no1 ZINC000019119459 368744577 /nfs/dbraw/zinc/74/45/77/368744577.db2.gz PMHXZNOVPUIBDC-MRXNPFEDSA-N 1 1 271.364 3.495 40 0 CGABMO CC[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020040343 368794827 /nfs/dbraw/zinc/79/48/27/368794827.db2.gz NRJIKAHGLFNCAB-HUUCEWRRSA-N 1 1 288.435 3.447 40 0 CGABMO [NH3+]CC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000034958729 368982447 /nfs/dbraw/zinc/98/24/47/368982447.db2.gz UBIHINRVQFQDQN-UHFFFAOYSA-N 1 1 273.207 3.164 40 0 CGABMO CCC[NH+]=C1NC=N[C@@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369751 369536342 /nfs/dbraw/zinc/53/63/42/369536342.db2.gz RGFYCIDYDFHXQW-GOEBONIOSA-N 1 1 285.416 3.465 40 0 CGABMO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N2CCCCC2)cc1C ZINC000072219214 369815489 /nfs/dbraw/zinc/81/54/89/369815489.db2.gz SJUTWIMDPVCFDE-MRXNPFEDSA-N 1 1 287.407 3.064 40 0 CGABMO C[C@@H]([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000089261709 370039095 /nfs/dbraw/zinc/03/90/95/370039095.db2.gz YDCYLUPVOWLCPG-RXMQYKEDSA-N 1 1 258.108 3.063 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@H]2CCc2ccncc2)cn1 ZINC000257263305 190022485 /nfs/dbraw/zinc/02/24/85/190022485.db2.gz LPFISWWMKMZSIZ-SFHVURJKSA-N 1 1 281.403 3.382 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000257286626 190027337 /nfs/dbraw/zinc/02/73/37/190027337.db2.gz PMHJJTNEXQRKNC-KRWDZBQOSA-N 1 1 283.419 3.151 40 0 CGABMO c1ccc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)nc1 ZINC000257333847 190035579 /nfs/dbraw/zinc/03/55/79/190035579.db2.gz YDIXZXDYQQOEKS-KRWDZBQOSA-N 1 1 267.376 3.074 40 0 CGABMO COc1cc(C[N@H+]2CCCC[C@H]2C(C)C)ccc1O ZINC000180083153 542206330 /nfs/dbraw/zinc/20/63/30/542206330.db2.gz ABRWKMBSMOCXRB-AWEZNQCLSA-N 1 1 263.381 3.411 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1N ZINC000252514730 377635879 /nfs/dbraw/zinc/63/58/79/377635879.db2.gz CZDFEEUDCHNUSS-MUQADHOPSA-N 1 1 288.435 3.154 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H]1[NH3+] ZINC000252514730 377635885 /nfs/dbraw/zinc/63/58/85/377635885.db2.gz CZDFEEUDCHNUSS-MUQADHOPSA-N 1 1 288.435 3.154 40 0 CGABMO CC(C)c1ccc(-c2noc(C[N@@H+](C)C(C)C)n2)cn1 ZINC000277872164 379254939 /nfs/dbraw/zinc/25/49/39/379254939.db2.gz FWYKOIWSFBGSBW-UHFFFAOYSA-N 1 1 274.368 3.095 40 0 CGABMO CC(C)c1ccc(-c2noc(C[N@H+](C)C(C)C)n2)cn1 ZINC000277872164 379254952 /nfs/dbraw/zinc/25/49/52/379254952.db2.gz FWYKOIWSFBGSBW-UHFFFAOYSA-N 1 1 274.368 3.095 40 0 CGABMO Cc1cc(NC2CC2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223814 256705126 /nfs/dbraw/zinc/70/51/26/256705126.db2.gz ZWACIHOWWPGYDR-MRXNPFEDSA-N 1 1 254.333 3.046 40 0 CGABMO CN(C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212646 392199166 /nfs/dbraw/zinc/19/91/66/392199166.db2.gz QCIWXTBIAIUAHA-QGZVFWFLSA-N 1 1 281.403 3.485 40 0 CGABMO Cc1[nH+]c(N(C)Cc2ccccc2)ccc1[C@@H](C)O ZINC000072224437 392204783 /nfs/dbraw/zinc/20/47/83/392204783.db2.gz ABYGSKYZNJQLFR-CYBMUJFWSA-N 1 1 256.349 3.080 40 0 CGABMO CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](CC3CC3)C2)C1=O ZINC000096100312 392245623 /nfs/dbraw/zinc/24/56/23/392245623.db2.gz MWUIETMEXGNTRC-LJQANCHMSA-N 1 1 298.430 3.043 40 0 CGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000072227476 292128487 /nfs/dbraw/zinc/12/84/87/292128487.db2.gz UZORDBIIHHJAET-HUUCEWRRSA-N 1 1 286.762 3.064 40 0 CGABMO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000004882455 170035852 /nfs/dbraw/zinc/03/58/52/170035852.db2.gz ORXYMFDUGQNFON-ZNXRZULTSA-N 1 1 298.430 3.273 40 0 CGABMO C[C@H]1C[N@@H+](C)[C@H](C)[C@H](O)C1(c1ccccc1)c1ccccc1 ZINC000005699673 170130374 /nfs/dbraw/zinc/13/03/74/170130374.db2.gz WVCHTOBQPKMTLU-FCEWJHQRSA-N 1 1 295.426 3.304 40 0 CGABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(C=O)cc1 ZINC000008731550 170351368 /nfs/dbraw/zinc/35/13/68/170351368.db2.gz IZKQVCMKTOGYCT-AWEZNQCLSA-N 1 1 261.365 3.142 40 0 CGABMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044137730 175145899 /nfs/dbraw/zinc/14/58/99/175145899.db2.gz CAAZPJWHENFKCC-HNNXBMFYSA-N 1 1 290.407 3.128 40 0 CGABMO OCC1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000046090604 175392804 /nfs/dbraw/zinc/39/28/04/175392804.db2.gz BVNKVBVIAXFGNK-UHFFFAOYSA-N 1 1 274.191 3.198 40 0 CGABMO c1cc2cc(C[C@H]3CC[N@@H+](Cc4ccncc4)C3)cnc2[nH]1 ZINC000072367623 176382574 /nfs/dbraw/zinc/38/25/74/176382574.db2.gz CNIFZQZGSSJELU-OAHLLOKOSA-N 1 1 292.386 3.023 40 0 CGABMO C[N@H+]1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072379101 176385771 /nfs/dbraw/zinc/38/57/71/176385771.db2.gz WXQJJSSNYRIPGZ-MRXNPFEDSA-N 1 1 287.794 3.488 40 0 CGABMO O=C(C[NH+]1CCCCCC1)Nc1nc2ccccc2s1 ZINC000012481567 274971779 /nfs/dbraw/zinc/97/17/79/274971779.db2.gz GLHILECSZLOSOI-UHFFFAOYSA-N 1 1 289.404 3.111 40 0 CGABMO CCCC[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000299817232 570387866 /nfs/dbraw/zinc/38/78/66/570387866.db2.gz OBLFRFGUZZRECT-AWEZNQCLSA-N 1 1 289.375 3.253 40 0 in-vitro CGABMO c1csc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000096046931 185073192 /nfs/dbraw/zinc/07/31/92/185073192.db2.gz WLUVVSQITBYVFW-KRWDZBQOSA-N 1 1 290.476 3.446 40 0 CGABMO CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096107446 185100244 /nfs/dbraw/zinc/10/02/44/185100244.db2.gz WZFALHYHYBXQTL-HOCLYGCPSA-N 1 1 295.448 3.217 40 0 CGABMO C[N@H+]1CC[C@H](NCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000012113181 344879682 /nfs/dbraw/zinc/87/96/82/344879682.db2.gz MGDXGLUHKKGPKT-MJGOQNOKSA-N 1 1 298.405 3.403 40 0 CGABMO CN1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000012113181 344879685 /nfs/dbraw/zinc/87/96/85/344879685.db2.gz MGDXGLUHKKGPKT-MJGOQNOKSA-N 1 1 298.405 3.403 40 0 CGABMO CCC(CC)C[N@H+]1CCC[C@@]2(CN([C@@H](C)CC)C2=O)C1 ZINC000585099348 346724759 /nfs/dbraw/zinc/72/47/59/346724759.db2.gz GVYAVJMIJQXTLN-YOEHRIQHSA-N 1 1 280.456 3.146 40 0 CGABMO Cc1cc(-c2ccc(C[C@@H]3CC[N@H+](C(C)C)C3)cn2)n[nH]1 ZINC000585180191 346726179 /nfs/dbraw/zinc/72/61/79/346726179.db2.gz AYHQHKQHUUGNRA-HNNXBMFYSA-N 1 1 284.407 3.053 40 0 CGABMO CC1=C[C@@H](C)[C@H](COC(=O)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000000171829 368308491 /nfs/dbraw/zinc/30/84/91/368308491.db2.gz UUJZAPVGHSXVSM-PMPSAXMXSA-N 1 1 279.424 3.254 40 0 CGABMO CC[C@@]1(OC(=O)c2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004525099 368549976 /nfs/dbraw/zinc/54/99/76/368549976.db2.gz NKBPLOQRMUVJTN-GRDNDAEWSA-N 1 1 275.392 3.352 40 0 CGABMO Cc1ccc(C[N@@H+](CCO)Cc2cccs2)cc1 ZINC000013997395 368672575 /nfs/dbraw/zinc/67/25/75/368672575.db2.gz PKSAYMFPVFJECQ-UHFFFAOYSA-N 1 1 261.390 3.051 40 0 CGABMO C/C(=C\c1ccccc1)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000019575672 368757102 /nfs/dbraw/zinc/75/71/02/368757102.db2.gz AEWGFUWDVPVAQA-HOXGWFAJSA-N 1 1 270.420 3.258 40 0 CGABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000019575108 368757128 /nfs/dbraw/zinc/75/71/28/368757128.db2.gz ZIOAUZBPCQZRLP-IUODEOHRSA-N 1 1 264.800 3.009 40 0 CGABMO Cc1[nH+]ccn1C[C@H](O)COc1cc(C(C)C)ccc1C ZINC000027332965 368870375 /nfs/dbraw/zinc/87/03/75/368870375.db2.gz SOAUSPBZKNMATF-INIZCTEOSA-N 1 1 288.391 3.063 40 0 CGABMO C[C@H]([N@@H+](C)Cc1ccccc1)[C@@](C)(O)c1ccccc1 ZINC000031924772 368921245 /nfs/dbraw/zinc/92/12/45/368921245.db2.gz WZULUTBDZYYRJF-MAUKXSAKSA-N 1 1 269.388 3.415 40 0 CGABMO COc1ccc(C[NH+]2CCCCC2)cc1Br ZINC000042211167 369203626 /nfs/dbraw/zinc/20/36/26/369203626.db2.gz QRSJFGJHMWIHAZ-UHFFFAOYSA-N 1 1 284.197 3.444 40 0 CGABMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC000053906585 369489454 /nfs/dbraw/zinc/48/94/54/369489454.db2.gz USLZOFHFXTUGBC-HNNXBMFYSA-N 1 1 263.381 3.497 40 0 CGABMO CN(C)CCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000057370945 369536693 /nfs/dbraw/zinc/53/66/93/369536693.db2.gz CIWVHRHUSGPMSQ-UHFFFAOYSA-N 1 1 268.404 3.395 40 0 CGABMO Cc1sc2c([C@@H]3CCC[N@H+](C)C3)nc(C)n2c1C ZINC000072367697 369817108 /nfs/dbraw/zinc/81/71/08/369817108.db2.gz PANKDPVBNNGTQY-GFCCVEGCSA-N 1 1 263.410 3.130 40 0 CGABMO OC[C@H](c1cccc(Cl)c1Cl)[NH+]1CCCC1 ZINC000070453284 369799528 /nfs/dbraw/zinc/79/95/28/369799528.db2.gz XWBDWQKDCDFIMT-LLVKDONJSA-N 1 1 260.164 3.123 40 0 CGABMO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096183059 370207409 /nfs/dbraw/zinc/20/74/09/370207409.db2.gz WDQYGYKLAFGFEI-NZSAHSFTSA-N 1 1 299.462 3.024 40 0 CGABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257264010 190022192 /nfs/dbraw/zinc/02/21/92/190022192.db2.gz LSLMMKUJHAOENL-INIZCTEOSA-N 1 1 267.376 3.165 40 0 CGABMO CNc1cc([C@H]2CCC[N@H+]2Cc2cccc(C)n2)ccn1 ZINC000257282969 190026529 /nfs/dbraw/zinc/02/65/29/190026529.db2.gz OWCDVFIREMKEND-MRXNPFEDSA-N 1 1 282.391 3.164 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000257293584 190028708 /nfs/dbraw/zinc/02/87/08/190028708.db2.gz QQFNGKRKFMIBAX-OAHLLOKOSA-N 1 1 287.382 3.279 40 0 CGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 ZINC000225234549 376298411 /nfs/dbraw/zinc/29/84/11/376298411.db2.gz KDAIQEMUAHLYBR-ZDUSSCGKSA-N 1 1 285.391 3.014 40 0 CGABMO O=c1[nH]cccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212296 392197563 /nfs/dbraw/zinc/19/75/63/392197563.db2.gz SUNLZQURLDMAFQ-HNNXBMFYSA-N 1 1 254.333 3.124 40 0 CGABMO CC[C@@H](O)c1c[nH+]c(NCc2ccccc2)cc1C ZINC000072223371 392203006 /nfs/dbraw/zinc/20/30/06/392203006.db2.gz DSXFGEPYMOHXEA-OAHLLOKOSA-N 1 1 256.349 3.446 40 0 CGABMO Cc1[nH+]c(N(C)Cc2ccccc2)ccc1[C@H](C)O ZINC000072224438 392204642 /nfs/dbraw/zinc/20/46/42/392204642.db2.gz ABYGSKYZNJQLFR-ZDUSSCGKSA-N 1 1 256.349 3.080 40 0 CGABMO Cc1[nH+]c(NC2CC2)ccc1[C@H](O)c1ccccc1 ZINC000072224856 392204676 /nfs/dbraw/zinc/20/46/76/392204676.db2.gz AHNYBESQJKHGOX-MRXNPFEDSA-N 1 1 254.333 3.046 40 0 CGABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000072324438 392206085 /nfs/dbraw/zinc/20/60/85/392206085.db2.gz ZIOAUZBPCQZRLP-SWLSCSKDSA-N 1 1 264.800 3.009 40 0 CGABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000095534097 392243924 /nfs/dbraw/zinc/24/39/24/392243924.db2.gz OBZLUKSYMSQKPA-CQSZACIVSA-N 1 1 298.777 3.482 40 0 CGABMO Cc1cc2cc(C)c(NCCNC(=O)C3CC3)[nH+]c2cc1C ZINC000004848612 170029723 /nfs/dbraw/zinc/02/97/23/170029723.db2.gz RZKBXUBYMSJJQH-UHFFFAOYSA-N 1 1 297.402 3.098 40 0 CGABMO CC[C@H](C)[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441213 173211319 /nfs/dbraw/zinc/21/13/19/173211319.db2.gz PURFUQMZTZSMDZ-WRWORJQWSA-N 1 1 282.185 3.371 40 0 CGABMO CCC[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038859511 174158338 /nfs/dbraw/zinc/15/83/38/174158338.db2.gz SWMBZKRVXLQPFU-CYBMUJFWSA-N 1 1 285.391 3.158 40 0 CGABMO C[N@H+]1CCC[C@@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072365070 176380181 /nfs/dbraw/zinc/38/01/81/176380181.db2.gz WXGXKTHHXUBWTB-CYBMUJFWSA-N 1 1 269.348 3.078 40 0 CGABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)cc1F ZINC000072369373 176384359 /nfs/dbraw/zinc/38/43/59/176384359.db2.gz UQJPUJQECLTKLU-CYBMUJFWSA-N 1 1 289.329 3.134 40 0 CGABMO COc1ccc(C[N@@H+]2CCC[C@@]2(C)c2nccc(C)n2)cc1 ZINC000072388509 176393363 /nfs/dbraw/zinc/39/33/63/176393363.db2.gz XUGOWZJIRQZUKA-SFHVURJKSA-N 1 1 297.402 3.305 40 0 CGABMO COc1ccc(C[N@H+]2CCC[C@@]2(C)c2nccc(C)n2)cc1 ZINC000072388509 176393364 /nfs/dbraw/zinc/39/33/64/176393364.db2.gz XUGOWZJIRQZUKA-SFHVURJKSA-N 1 1 297.402 3.305 40 0 CGABMO Cc1cc(N)[nH+]cc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218498 301330949 /nfs/dbraw/zinc/33/09/49/301330949.db2.gz HQIZQDCHCSFQNE-GFCCVEGCSA-N 1 1 277.368 3.044 40 0 CGABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC000096055772 185076801 /nfs/dbraw/zinc/07/68/01/185076801.db2.gz PACJVHNKSIYBPW-LSDHHAIUSA-N 1 1 264.438 3.053 40 0 CGABMO Cc1ccc(C[N@@H+]2CCN(CC3CC3)c3ncccc3C2)o1 ZINC000096060972 185082313 /nfs/dbraw/zinc/08/23/13/185082313.db2.gz KKYGWOWNPMGZBH-UHFFFAOYSA-N 1 1 297.402 3.215 40 0 CGABMO Cc1ccc(C[N@H+]2CCN(CC3CC3)c3ncccc3C2)o1 ZINC000096060972 185082314 /nfs/dbraw/zinc/08/23/14/185082314.db2.gz KKYGWOWNPMGZBH-UHFFFAOYSA-N 1 1 297.402 3.215 40 0 CGABMO O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000096061560 185082786 /nfs/dbraw/zinc/08/27/86/185082786.db2.gz WAKGCWFPLCVNEM-ZWKOTPCHSA-N 1 1 285.362 3.004 40 0 CGABMO Cc1cc(C)c(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000006008547 344863704 /nfs/dbraw/zinc/86/37/04/344863704.db2.gz RRGHERDNNOVPPF-IAGOWNOFSA-N 1 1 291.435 3.226 40 0 CGABMO CC(C)c1ccc(C[N@H+]2CC[C@H]3NC(=O)CCC[C@H]32)cc1 ZINC000019713264 344890844 /nfs/dbraw/zinc/89/08/44/344890844.db2.gz XEDGPPXUIDHPRP-IAGOWNOFSA-N 1 1 286.419 3.053 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000205691560 346283352 /nfs/dbraw/zinc/28/33/52/346283352.db2.gz BAORVPCULJKPJQ-CYBMUJFWSA-N 1 1 261.394 3.127 40 0 CGABMO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000205691560 346283356 /nfs/dbraw/zinc/28/33/56/346283356.db2.gz BAORVPCULJKPJQ-CYBMUJFWSA-N 1 1 261.394 3.127 40 0 CGABMO Cc1cnc([C@@H]2CCC[N@H+](Cc3cscn3)C2)s1 ZINC000205689849 346283399 /nfs/dbraw/zinc/28/33/99/346283399.db2.gz BLEXGPZZGZTTHT-LLVKDONJSA-N 1 1 279.434 3.288 40 0 CGABMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)s1 ZINC000205689849 346283402 /nfs/dbraw/zinc/28/34/02/346283402.db2.gz BLEXGPZZGZTTHT-LLVKDONJSA-N 1 1 279.434 3.288 40 0 CGABMO CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CCCCC1)CC2 ZINC000585100691 346724408 /nfs/dbraw/zinc/72/44/08/346724408.db2.gz SWLBQZHSKKOFDP-SFHVURJKSA-N 1 1 292.467 3.434 40 0 CGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccco1)Cc1ccccn1 ZINC000019527164 368757134 /nfs/dbraw/zinc/75/71/34/368757134.db2.gz GENIFBSXQCGEPA-KRWDZBQOSA-N 1 1 299.418 3.161 40 0 CGABMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000024718093 368834336 /nfs/dbraw/zinc/83/43/36/368834336.db2.gz KLNGFIBGXXNTLD-WMLDXEAASA-N 1 1 255.361 3.241 40 0 CGABMO c1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000026898119 368866649 /nfs/dbraw/zinc/86/66/49/368866649.db2.gz HMGDLYUTYLPXDR-QGZVFWFLSA-N 1 1 253.345 3.340 40 0 CGABMO CC(C)[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000030691499 368905144 /nfs/dbraw/zinc/90/51/44/368905144.db2.gz FVYUQFQCEOZYHZ-CYBMUJFWSA-N 1 1 273.298 3.487 40 0 in-man CGABMO CC(C)[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000030691499 368905147 /nfs/dbraw/zinc/90/51/47/368905147.db2.gz FVYUQFQCEOZYHZ-CYBMUJFWSA-N 1 1 273.298 3.487 40 0 in-man CGABMO CC1CCC([NH+]2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC000034118387 368972865 /nfs/dbraw/zinc/97/28/65/368972865.db2.gz ALKCVQHSCHWEHN-CKGODYTQSA-N 1 1 288.479 3.395 40 0 CGABMO CC(C)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000049824731 369416255 /nfs/dbraw/zinc/41/62/55/369416255.db2.gz KFSWCSCKHIPSMT-UHFFFAOYSA-N 1 1 262.180 3.196 40 0 CGABMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000067801169 369730203 /nfs/dbraw/zinc/73/02/03/369730203.db2.gz LTVAXKIZYRUIFE-OAHLLOKOSA-N 1 1 290.407 3.094 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H]1c1cccc(-c2ccc(N)nc2)n1 ZINC000072357538 369817258 /nfs/dbraw/zinc/81/72/58/369817258.db2.gz ZYBTXWLQVVCJRI-MRXNPFEDSA-N 1 1 282.391 3.271 40 0 CGABMO COc1ccc(CNc2cc(C)cc[nH+]2)c(OC)c1 ZINC000070141350 369781707 /nfs/dbraw/zinc/78/17/07/369781707.db2.gz LVPYGZQTDIRBQL-UHFFFAOYSA-N 1 1 258.321 3.019 40 0 CGABMO C[N@H+]1CC[C@@H](OCc2cccnc2)[C@@H](Cc2ccccc2)C1 ZINC000096218168 370208839 /nfs/dbraw/zinc/20/88/39/370208839.db2.gz OAHSFYABROSXNM-RBUKOAKNSA-N 1 1 296.414 3.161 40 0 CGABMO Cc1ccsc1C[N@@H+]1CC[C@@H](c2n[nH]cc2C)C1 ZINC000257231544 190015913 /nfs/dbraw/zinc/01/59/13/190015913.db2.gz GHFDYIHGKHNOEK-GFCCVEGCSA-N 1 1 261.394 3.078 40 0 CGABMO Cc1cc(C[NH+]2CCC(C)(c3ncc(C)s3)CC2)no1 ZINC000257231719 190016391 /nfs/dbraw/zinc/01/63/91/190016391.db2.gz GHXZKLKMCVZSOR-UHFFFAOYSA-N 1 1 291.420 3.302 40 0 CGABMO CC(C)n1nccc1C[N@H+]1CCC[C@H](Cc2ccccn2)C1 ZINC000257237413 190017944 /nfs/dbraw/zinc/01/79/44/190017944.db2.gz HGITYINOHXVACX-MRXNPFEDSA-N 1 1 298.434 3.314 40 0 CGABMO CC(C)n1nccc1-c1cc(C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000257256300 190021959 /nfs/dbraw/zinc/02/19/59/190021959.db2.gz KKWJFANHRBKTNY-HNNXBMFYSA-N 1 1 284.407 3.020 40 0 CGABMO CC(C)[N@@H+]1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257296417 190028438 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/nfs/dbraw/zinc/19/70/81/392197081.db2.gz HSUPJNKMWANKMC-SNVBAGLBSA-N 1 1 255.159 3.001 40 0 CGABMO CC[N@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216033 392200300 /nfs/dbraw/zinc/20/03/00/392200300.db2.gz IXTPLFKJESMBKL-OAHLLOKOSA-N 1 1 259.397 3.229 40 0 CGABMO CC[C@@H](OC[C@H](O)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000002694580 169820506 /nfs/dbraw/zinc/82/05/06/169820506.db2.gz RNHFVWMMSZZINT-CGTJXYLNSA-N 1 1 291.435 3.247 40 0 CGABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000035442897 172202425 /nfs/dbraw/zinc/20/24/25/172202425.db2.gz XYSAELPEUXGHAR-HNNXBMFYSA-N 1 1 292.386 3.256 40 0 biogenic,in-vitro CGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCCCC1 ZINC000044903743 175274831 /nfs/dbraw/zinc/27/48/31/175274831.db2.gz VPELFGIXFSLOHJ-UHFFFAOYSA-N 1 1 297.402 3.377 40 0 CGABMO C[N@@H+]1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251055 277023549 /nfs/dbraw/zinc/02/35/49/277023549.db2.gz ZXTUIGUELBDRCI-UHFFFAOYSA-N 1 1 293.164 3.309 40 0 CGABMO CCCCC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000096081104 185091114 /nfs/dbraw/zinc/09/11/14/185091114.db2.gz LGYBKSOLYCPIFF-QZTJIDSGSA-N 1 1 272.436 3.240 40 0 CGABMO COc1ccc(C[C@H]2C[N@@H+](C3CCC3)CC[C@H]2OC)cc1 ZINC000096110276 185101349 /nfs/dbraw/zinc/10/13/49/185101349.db2.gz WDXPRVXXABNPAZ-MAUKXSAKSA-N 1 1 289.419 3.127 40 0 CGABMO CC(C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc[nH+]1 ZINC000329025674 136377648 /nfs/dbraw/zinc/37/76/48/136377648.db2.gz PHRQZFMRXQKCIE-ZDUSSCGKSA-N 1 1 282.391 3.248 40 0 CGABMO O[C@@]12CCCC[C@H]1C[N@@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000019375136 344889928 /nfs/dbraw/zinc/88/99/28/344889928.db2.gz DRALRCCXSSHPOB-PKOBYXMFSA-N 1 1 299.414 3.089 40 0 CGABMO CCC[N@@H+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000001656115 368427592 /nfs/dbraw/zinc/42/75/92/368427592.db2.gz RNJWWDVTYURVDA-UHFFFAOYSA-N 1 1 287.407 3.387 40 0 CGABMO CC(C)(C)c1ccc([C@]23CCC[N@H+]2CCCN3)cc1 ZINC000019329213 368747961 /nfs/dbraw/zinc/74/79/61/368747961.db2.gz XJYZXMQUOREZTJ-KRWDZBQOSA-N 1 1 258.409 3.226 40 0 CGABMO CCC(CC)[NH+]1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019362879 368749749 /nfs/dbraw/zinc/74/97/49/368749749.db2.gz DDWDAWLJRHKZHU-OWCLPIDISA-N 1 1 262.441 3.005 40 0 CGABMO CC(C)Nc1nc(NC(C)C)[nH+]c(NC2CCCCC2)n1 ZINC000027526269 368872951 /nfs/dbraw/zinc/87/29/51/368872951.db2.gz VAMAEZAARGPIEM-UHFFFAOYSA-N 1 1 292.431 3.257 40 0 CGABMO CC1=C2C(=[NH+]CCc3cccs3)NC=N[C@H]2SC1C ZINC000028616845 368888027 /nfs/dbraw/zinc/88/80/27/368888027.db2.gz WYKSKEUSZHRFQX-JSGCOSHPSA-N 1 1 291.445 3.304 40 0 CGABMO CCN(CC)CC(C[NH+](CC)CC)OCc1ccccc1 ZINC000057452064 369537933 /nfs/dbraw/zinc/53/79/33/369537933.db2.gz UZMWGMCPWDTNLJ-UHFFFAOYSA-N 1 1 292.467 3.255 40 0 CGABMO CC[C@](CO)(c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000065734693 369685467 /nfs/dbraw/zinc/68/54/67/369685467.db2.gz WVCKSRCCDDRZCQ-SFHVURJKSA-N 1 1 269.388 3.416 40 0 in-vitro CGABMO C[C@H]([NH3+])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000089262318 370039309 /nfs/dbraw/zinc/03/93/09/370039309.db2.gz DKPKYAQUQHYMAN-YFKPBYRVSA-N 1 1 258.108 3.063 40 0 CGABMO Cc1cc(-c2noc([C@H](C)[NH3+])n2)cc(C)c1OC(C)C ZINC000095095349 370174784 /nfs/dbraw/zinc/17/47/84/370174784.db2.gz DSQXDRAAXHFUCA-NSHDSACASA-N 1 1 275.352 3.160 40 0 CGABMO C/C(=C\c1ccccc1)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000179907963 373938013 /nfs/dbraw/zinc/93/80/13/373938013.db2.gz MSRIZRFAWHWGMU-WKOYGUFESA-N 1 1 257.377 3.201 40 0 CGABMO C[N@H+]1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306136605 374127725 /nfs/dbraw/zinc/12/77/25/374127725.db2.gz PXZUHTAOXJWPOH-CYBMUJFWSA-N 1 1 298.415 3.267 40 0 CGABMO Cc1nn(C2CCCC2)cc1C[NH2+]Cc1ccco1 ZINC000256053666 190005046 /nfs/dbraw/zinc/00/50/46/190005046.db2.gz SIJFEJVAKVSDQE-UHFFFAOYSA-N 1 1 259.353 3.189 40 0 CGABMO CC(C)n1nccc1C[NH2+]Cc1cc(F)ccc1F ZINC000256052809 190004572 /nfs/dbraw/zinc/00/45/72/190004572.db2.gz OTTVTOZSKQHQIV-UHFFFAOYSA-N 1 1 265.307 3.032 40 0 CGABMO Fc1ccc(C[NH+]2CCC(c3cnccn3)CC2)c(F)c1 ZINC000257237933 190017909 /nfs/dbraw/zinc/01/79/09/190017909.db2.gz HIWYHCKZCYMVLY-UHFFFAOYSA-N 1 1 289.329 3.134 40 0 CGABMO Cc1cccc(C[C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257267465 190023403 /nfs/dbraw/zinc/02/34/03/190023403.db2.gz MHKZAURGVLAROW-AWEZNQCLSA-N 1 1 287.432 3.301 40 0 CGABMO Cc1cccc(C[C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257267465 190023404 /nfs/dbraw/zinc/02/34/04/190023404.db2.gz MHKZAURGVLAROW-AWEZNQCLSA-N 1 1 287.432 3.301 40 0 CGABMO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257279475 190025217 /nfs/dbraw/zinc/02/52/17/190025217.db2.gz OGVHDMVAZSKEAV-LBPRGKRZSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1ccc(F)c(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257279475 190025218 /nfs/dbraw/zinc/02/52/18/190025218.db2.gz OGVHDMVAZSKEAV-LBPRGKRZSA-N 1 1 289.329 3.134 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H]1c1ccnc(-c2cc[nH]n2)c1 ZINC000257292665 190027445 /nfs/dbraw/zinc/02/74/45/190027445.db2.gz QMMSZELOZYATCY-OAHLLOKOSA-N 1 1 256.353 3.017 40 0 CGABMO c1cncc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)c1 ZINC000257310277 190031650 /nfs/dbraw/zinc/03/16/50/190031650.db2.gz UELUVDQGZSRIHV-KRWDZBQOSA-N 1 1 267.376 3.074 40 0 CGABMO c1cncc(C[C@H]2CC[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]23)c1 ZINC000257297617 190029259 /nfs/dbraw/zinc/02/92/59/190029259.db2.gz RIDKCMZJBXUHCB-GUDVDZBRSA-N 1 1 293.414 3.177 40 0 CGABMO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257332513 190035673 /nfs/dbraw/zinc/03/56/73/190035673.db2.gz XXPMUPGORNNQFS-CQSZACIVSA-N 1 1 259.378 3.184 40 0 CGABMO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257332513 190035674 /nfs/dbraw/zinc/03/56/74/190035674.db2.gz XXPMUPGORNNQFS-CQSZACIVSA-N 1 1 259.378 3.184 40 0 CGABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 ZINC000248079704 377266127 /nfs/dbraw/zinc/26/61/27/377266127.db2.gz ACSZNQVPNYRNTG-MOPGFXCFSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccco3)C[C@@H]12 ZINC000248079704 377266134 /nfs/dbraw/zinc/26/61/34/377266134.db2.gz ACSZNQVPNYRNTG-MOPGFXCFSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccco3)C[C@@H]12 ZINC000248079704 377266143 /nfs/dbraw/zinc/26/61/43/377266143.db2.gz ACSZNQVPNYRNTG-MOPGFXCFSA-N 1 1 296.414 3.127 40 0 CGABMO COCC[C@H]1CCOC2(C[NH+](Cc3ccccc3C)C2)C1 ZINC000248170836 377274552 /nfs/dbraw/zinc/27/45/52/377274552.db2.gz WCEXESBLMBWCGO-INIZCTEOSA-N 1 1 289.419 3.013 40 0 CGABMO CCOCC[C@@H]1CCOC12C[NH+](Cc1sccc1C)C2 ZINC000253598826 377701141 /nfs/dbraw/zinc/70/11/41/377701141.db2.gz HRLFIVPJDYOUML-CQSZACIVSA-N 1 1 295.448 3.074 40 0 CGABMO Nc1cccc(OC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000575423510 377907890 /nfs/dbraw/zinc/90/78/90/377907890.db2.gz OJRFXDKTTSMNFC-KRWDZBQOSA-N 1 1 282.387 3.312 40 0 CGABMO CNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c(C)[nH+]1 ZINC000072219107 392200550 /nfs/dbraw/zinc/20/05/50/392200550.db2.gz HXWJHJSUADSUAO-INIZCTEOSA-N 1 1 295.386 3.409 40 0 CGABMO CCN(CC)c1cc(C)c(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072223257 392202792 /nfs/dbraw/zinc/20/27/92/392202792.db2.gz JZFQMKIAFQDDGT-UHFFFAOYSA-N 1 1 293.411 3.261 40 0 CGABMO O=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000035289754 172106016 /nfs/dbraw/zinc/10/60/16/172106016.db2.gz RZAICIBDSGGEAA-ZXFUBFMLSA-N 1 1 299.418 3.356 40 0 CGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000038835823 174156963 /nfs/dbraw/zinc/15/69/63/174156963.db2.gz KPUBQSUFHWDRND-UHFFFAOYSA-N 1 1 297.402 3.256 40 0 CGABMO OCC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000046091224 175392982 /nfs/dbraw/zinc/39/29/82/175392982.db2.gz WZGZINOZGAXDME-UHFFFAOYSA-N 1 1 274.191 3.198 40 0 CGABMO C[N@H+]1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072343508 176371929 /nfs/dbraw/zinc/37/19/29/176371929.db2.gz NHILNWYNNDOWCY-INIZCTEOSA-N 1 1 282.387 3.050 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](Cc2ccc(Cl)nc2)C1 ZINC000072343524 176372056 /nfs/dbraw/zinc/37/20/56/176372056.db2.gz DDAMZBGVYMWWMT-CYBMUJFWSA-N 1 1 252.789 3.398 40 0 CGABMO C[N@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375105 176385169 /nfs/dbraw/zinc/38/51/69/176385169.db2.gz RCXPCXOVZXIAJA-LLVKDONJSA-N 1 1 260.366 3.048 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H]1c1nccnc1Nc1ccccn1 ZINC000072384613 176388867 /nfs/dbraw/zinc/38/88/67/176388867.db2.gz XHJQLWMGOALJMW-CYBMUJFWSA-N 1 1 283.379 3.161 40 0 CGABMO CC(=O)Nc1cc([NH+]2C[C@H](C)C[C@@H](C)C2)c(C)cc1N ZINC000216864303 277063596 /nfs/dbraw/zinc/06/35/96/277063596.db2.gz GPBTZWNIPMXMGX-GHMZBOCLSA-N 1 1 275.396 3.018 40 0 CGABMO CCOCC[C@H]1Cn2cccc2C[N@@H+](CC2CCC2)C1 ZINC000585095092 346724679 /nfs/dbraw/zinc/72/46/79/346724679.db2.gz DZGSBRNKQBBMTK-MRXNPFEDSA-N 1 1 276.424 3.147 40 0 CGABMO Fc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(F)c1 ZINC000120209812 370748662 /nfs/dbraw/zinc/74/86/62/370748662.db2.gz NQLRAUXKDLGZMM-LBPRGKRZSA-N 1 1 277.318 3.068 40 0 CGABMO O[C@@H]1CCC[C@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001666088 368427872 /nfs/dbraw/zinc/42/78/72/368427872.db2.gz QBOSUFUCBZTWSO-ZUZCIYMTSA-N 1 1 276.767 3.461 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1 ZINC000010543000 368583344 /nfs/dbraw/zinc/58/33/44/368583344.db2.gz OVMHHRYYDZAXDD-INIZCTEOSA-N 1 1 274.408 3.071 40 0 CGABMO OCCC[N@@H+](Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000013568169 368657937 /nfs/dbraw/zinc/65/79/37/368657937.db2.gz XFBPZEDASHFNPT-UHFFFAOYSA-N 1 1 290.794 3.120 40 0 CGABMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)o3)C[C@H]2C)o1 ZINC000019364847 368750020 /nfs/dbraw/zinc/75/00/20/368750020.db2.gz UGHIIVPRFLCBLZ-CYBMUJFWSA-N 1 1 288.391 3.196 40 0 in-vitro CGABMO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)o3)C[C@H]2C)o1 ZINC000019364847 368750026 /nfs/dbraw/zinc/75/00/26/368750026.db2.gz UGHIIVPRFLCBLZ-CYBMUJFWSA-N 1 1 288.391 3.196 40 0 in-vitro CGABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1 ZINC000019575138 368756412 /nfs/dbraw/zinc/75/64/12/368756412.db2.gz QNITWHLGUAZIOT-DOMZBBRYSA-N 1 1 264.800 3.009 40 0 CGABMO CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000066346899 369692247 /nfs/dbraw/zinc/69/22/47/369692247.db2.gz ZKLFJQPUTPGIOF-NSHDSACASA-N 1 1 254.171 3.258 40 0 CGABMO Cc1cccnc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000093169622 370112154 /nfs/dbraw/zinc/11/21/54/370112154.db2.gz ZHSSHWRHKGMMRX-ZDUSSCGKSA-N 1 1 273.405 3.226 40 0 CGABMO CC(C)[N@H+]1C[C@H](C)[C@H](OC(=O)c2ccccc2)C[C@@H]1C ZINC000101224838 370288050 /nfs/dbraw/zinc/28/80/50/370288050.db2.gz OCFLFQDQCLZABG-OFQRWUPVSA-N 1 1 275.392 3.351 40 0 CGABMO C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000144051727 371516243 /nfs/dbraw/zinc/51/62/43/371516243.db2.gz JCDMREVIWJQGLS-MAUKXSAKSA-N 1 1 296.414 3.209 40 0 CGABMO CC(C)c1cc(C[NH2+]Cc2cccc(F)c2F)n(C)n1 ZINC000256052937 190004352 /nfs/dbraw/zinc/00/43/52/190004352.db2.gz PGIQRXWDSAVAKV-UHFFFAOYSA-N 1 1 279.334 3.112 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)s1 ZINC000257242796 190018325 /nfs/dbraw/zinc/01/83/25/190018325.db2.gz IEEKJXFVDBCRPK-CYBMUJFWSA-N 1 1 273.405 3.226 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccn3)C2)cn1 ZINC000257281718 190025942 /nfs/dbraw/zinc/02/59/42/190025942.db2.gz OQQIRDJEAJRSAD-INIZCTEOSA-N 1 1 281.403 3.240 40 0 CGABMO Cc1nccc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000257301058 190030702 /nfs/dbraw/zinc/03/07/02/190030702.db2.gz RWVFEDMBHNXNTK-CQSZACIVSA-N 1 1 259.397 3.297 40 0 CGABMO CCC(=O)Nc1cc([N@@H+]2CCC[C@@H](C)C2)c(C)cc1N ZINC000216864725 376168527 /nfs/dbraw/zinc/16/85/27/376168527.db2.gz SEEBRIYDRYXJAW-LLVKDONJSA-N 1 1 275.396 3.162 40 0 CGABMO CCC(=O)Nc1cc([N@H+]2CCC[C@@H](C)C2)c(C)cc1N ZINC000216864725 376168528 /nfs/dbraw/zinc/16/85/28/376168528.db2.gz SEEBRIYDRYXJAW-LLVKDONJSA-N 1 1 275.396 3.162 40 0 CGABMO CC(=O)Nc1cc([N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216864327 376168557 /nfs/dbraw/zinc/16/85/57/376168557.db2.gz GPBTZWNIPMXMGX-PHIMTYICSA-N 1 1 275.396 3.018 40 0 CGABMO CC(=O)Nc1cc([N@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216864327 376168558 /nfs/dbraw/zinc/16/85/58/376168558.db2.gz GPBTZWNIPMXMGX-PHIMTYICSA-N 1 1 275.396 3.018 40 0 CGABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 ZINC000248114294 377267313 /nfs/dbraw/zinc/26/73/13/377267313.db2.gz IHFWJQMJMIROBC-MOPGFXCFSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@@H]12 ZINC000248114294 377267321 /nfs/dbraw/zinc/26/73/21/377267321.db2.gz IHFWJQMJMIROBC-MOPGFXCFSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@@H]12 ZINC000248114294 377267333 /nfs/dbraw/zinc/26/73/33/377267333.db2.gz IHFWJQMJMIROBC-MOPGFXCFSA-N 1 1 296.414 3.127 40 0 CGABMO C[C@@H]1CCC[N@@H+]([C@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000252215881 377619399 /nfs/dbraw/zinc/61/93/99/377619399.db2.gz XRGUJSFMOCLWLG-BXUZGUMPSA-N 1 1 286.341 3.437 40 0 CGABMO C[C@@H]1CCC[N@H+]([C@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000252215881 377619405 /nfs/dbraw/zinc/61/94/05/377619405.db2.gz XRGUJSFMOCLWLG-BXUZGUMPSA-N 1 1 286.341 3.437 40 0 CGABMO COCC[C@H]1CCOC2(C[NH+](Cc3sccc3C)C2)C1 ZINC000253598631 377701336 /nfs/dbraw/zinc/70/13/36/377701336.db2.gz FBJWXDXNYXXSLR-AWEZNQCLSA-N 1 1 295.448 3.074 40 0 CGABMO NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000022212842 391944122 /nfs/dbraw/zinc/94/41/22/391944122.db2.gz XHNASWXECKUESZ-CYBMUJFWSA-N 1 1 272.314 3.191 40 0 CGABMO Cc1cc([C@H]2CCCC[N@@H+]2C)cnc1N1CCCC1 ZINC000072218815 392200328 /nfs/dbraw/zinc/20/03/28/392200328.db2.gz HTWDJDNYYMJXDO-OAHLLOKOSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223501 392202979 /nfs/dbraw/zinc/20/29/79/392202979.db2.gz DCKLULAKTFFFOE-GOSISDBHSA-N 1 1 282.387 3.462 40 0 CGABMO C[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000022119766 171353577 /nfs/dbraw/zinc/35/35/77/171353577.db2.gz GRAJWDURRPOIRR-YFKPBYRVSA-N 1 1 258.108 3.063 40 0 CGABMO O=C(c1ccccc1)N1C[C@@H]2CCCC[N@@H+](CC3CC3)[C@@H]2C1 ZINC000072330643 176370203 /nfs/dbraw/zinc/37/02/03/176370203.db2.gz BEPCXOHFOPNOHU-ZWKOTPCHSA-N 1 1 298.430 3.023 40 0 CGABMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3ccccc3)n2)C1 ZINC000072359254 176377090 /nfs/dbraw/zinc/37/70/90/176377090.db2.gz JGKOJKUOHIWISJ-CQSZACIVSA-N 1 1 295.386 3.143 40 0 CGABMO c1cn(-c2cncc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000072378712 176385467 /nfs/dbraw/zinc/38/54/67/176385467.db2.gz DLQYQLDRWJURFP-INIZCTEOSA-N 1 1 297.406 3.132 40 0 CGABMO Cc1cccc(C[C@H]2COCC[N@H+](C3CCCCC3)C2)n1 ZINC000072381035 176387763 /nfs/dbraw/zinc/38/77/63/176387763.db2.gz PNKDCXKUGQPZRP-MRXNPFEDSA-N 1 1 288.435 3.214 40 0 CGABMO C[C@H](c1ccco1)[N@H+](C)Cc1[nH]nnc1-c1ccccc1 ZINC000072397956 176395670 /nfs/dbraw/zinc/39/56/70/176395670.db2.gz GLXAYIXRDKUPKN-GFCCVEGCSA-N 1 1 282.347 3.258 40 0 CGABMO C[C@H](c1ccco1)[N@@H+](C)Cc1[nH]nnc1-c1ccccc1 ZINC000072397956 176395671 /nfs/dbraw/zinc/39/56/71/176395671.db2.gz GLXAYIXRDKUPKN-GFCCVEGCSA-N 1 1 282.347 3.258 40 0 CGABMO Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1ccco1)C2 ZINC000096260866 281137003 /nfs/dbraw/zinc/13/70/03/281137003.db2.gz BEJBXCMCEDUSHC-UHFFFAOYSA-N 1 1 297.402 3.215 40 0 CGABMO Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](Cc1ccco1)C2 ZINC000096260866 281137006 /nfs/dbraw/zinc/13/70/06/281137006.db2.gz BEJBXCMCEDUSHC-UHFFFAOYSA-N 1 1 297.402 3.215 40 0 CGABMO C([C@@H]1C[C@@H]1C1CCCCC1)[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714822 346304917 /nfs/dbraw/zinc/30/49/17/346304917.db2.gz MSFDEISPJHZVBL-MLHJIOFPSA-N 1 1 276.468 3.419 40 0 CGABMO C([C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225714822 346304919 /nfs/dbraw/zinc/30/49/19/346304919.db2.gz MSFDEISPJHZVBL-MLHJIOFPSA-N 1 1 276.468 3.419 40 0 CGABMO C[N@H+]1CC[C@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102297 346724669 /nfs/dbraw/zinc/72/46/69/346724669.db2.gz WOFPUJNGCOCGQE-IBGZPJMESA-N 1 1 294.398 3.150 40 0 CGABMO CC(C)=CC[N@H+]1CCC[C@H](n2c(=O)oc3ccccc32)C1 ZINC000012219410 368606762 /nfs/dbraw/zinc/60/67/62/368606762.db2.gz SKDLJRYCCFRNBX-AWEZNQCLSA-N 1 1 286.375 3.198 40 0 CGABMO COC(=O)/C(=C/c1ccccc1)C[N@H+]1CCCC[C@@H]1C ZINC000017045447 368727497 /nfs/dbraw/zinc/72/74/97/368727497.db2.gz CYTSEDNEUSSRPV-AOHITCTBSA-N 1 1 273.376 3.117 40 0 CGABMO CCC[NH+]=C1NC=N[C@@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369749 369536357 /nfs/dbraw/zinc/53/63/57/369536357.db2.gz RGFYCIDYDFHXQW-GDBMZVCRSA-N 1 1 285.416 3.465 40 0 CGABMO CC[NH+](CC)Cc1cc(OC)ccc1Br ZINC000087797748 370030196 /nfs/dbraw/zinc/03/01/96/370030196.db2.gz AXKZYMIKXPAOKM-UHFFFAOYSA-N 1 1 272.186 3.300 40 0 CGABMO c1cc(C[N@H+]2CCN(CC3CC3)c3ncccc3C2)cs1 ZINC000096060971 370202860 /nfs/dbraw/zinc/20/28/60/370202860.db2.gz CXWXHXVWDBBNGW-UHFFFAOYSA-N 1 1 299.443 3.375 40 0 CGABMO c1cc(C[N@@H+]2CCN(CC3CC3)c3ncccc3C2)cs1 ZINC000096060971 370202867 /nfs/dbraw/zinc/20/28/67/370202867.db2.gz CXWXHXVWDBBNGW-UHFFFAOYSA-N 1 1 299.443 3.375 40 0 CGABMO CC(C)[N@H+]1C[C@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000169684028 372630773 /nfs/dbraw/zinc/63/07/73/372630773.db2.gz OCFLFQDQCLZABG-SQWLQELKSA-N 1 1 275.392 3.351 40 0 CGABMO CCN(C)c1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072212780 284372056 /nfs/dbraw/zinc/37/20/56/284372056.db2.gz PCEXXCNJOQGHMG-OAHLLOKOSA-N 1 1 261.413 3.331 40 0 CGABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccc(-c3ccnn3C)nc2)C1 ZINC000257221225 190014921 /nfs/dbraw/zinc/01/49/21/190014921.db2.gz DOAYQEIOAZLFSN-INIZCTEOSA-N 1 1 298.434 3.145 40 0 CGABMO CCCn1nccc1-c1cc(C[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000257295921 190028624 /nfs/dbraw/zinc/02/86/24/190028624.db2.gz RALMITQBSREZPE-INIZCTEOSA-N 1 1 298.434 3.239 40 0 CGABMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)cc1 ZINC000257331643 190035880 /nfs/dbraw/zinc/03/58/80/190035880.db2.gz XTRJAVCQJKKVAL-INIZCTEOSA-N 1 1 282.391 3.094 40 0 CGABMO Cc1cc(-c2cccc([C@H]3CCC[N@@H+]3C(C)C)n2)n[nH]1 ZINC000257280279 377796712 /nfs/dbraw/zinc/79/67/12/377796712.db2.gz OKHKXXOWLSUUOG-MRXNPFEDSA-N 1 1 270.380 3.325 40 0 CGABMO Cc1cc[nH+]c(N[C@H](C)c2cccc(N3CCOCC3)c2)c1 ZINC000271924236 378517877 /nfs/dbraw/zinc/51/78/77/378517877.db2.gz FVJRJMCPWHZKPP-OAHLLOKOSA-N 1 1 297.402 3.400 40 0 CGABMO C[NH+](C)CCNC1c2ccccc2CCc2ccccc21 ZINC000019366669 391936138 /nfs/dbraw/zinc/93/61/38/391936138.db2.gz CZULGHYJEDZFMY-UHFFFAOYSA-N 1 1 280.415 3.026 40 0 CGABMO C[N@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214363 392198636 /nfs/dbraw/zinc/19/86/36/392198636.db2.gz RHKKJLHWVJMMLN-LBPRGKRZSA-N 1 1 277.368 3.195 40 0 CGABMO Cc1[nH]c(=O)ccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218189 392200569 /nfs/dbraw/zinc/20/05/69/392200569.db2.gz IEAXVUIACKEVQA-INIZCTEOSA-N 1 1 268.360 3.433 40 0 CGABMO Cc1[nH+]c(NC(C)C)ccc1[C@@H](O)c1ccccc1 ZINC000072224050 392203255 /nfs/dbraw/zinc/20/32/55/392203255.db2.gz OQWNXBNNNDLLRN-INIZCTEOSA-N 1 1 256.349 3.292 40 0 CGABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2cccc(Cl)c2)c1 ZINC000072227429 392204707 /nfs/dbraw/zinc/20/47/07/392204707.db2.gz HUILUADKMQLMRD-CABCVRRESA-N 1 1 286.762 3.064 40 0 CGABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000082323662 392223227 /nfs/dbraw/zinc/22/32/27/392223227.db2.gz QDLWDPSXJHJYSR-CQSZACIVSA-N 1 1 260.381 3.090 40 0 CGABMO C([C@H]1C[C@H]1C1CCCCC1)[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714907 393012334 /nfs/dbraw/zinc/01/23/34/393012334.db2.gz MSFDEISPJHZVBL-XDNAFOTISA-N 1 1 276.468 3.419 40 0 CGABMO C([C@H]1C[C@H]1C1CCCCC1)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225714907 393012340 /nfs/dbraw/zinc/01/23/40/393012340.db2.gz MSFDEISPJHZVBL-XDNAFOTISA-N 1 1 276.468 3.419 40 0 CGABMO C[C@H]([N@@H+](C)Cc1ccccc1)[C@](C)(O)c1ccccc1 ZINC000004705920 170002485 /nfs/dbraw/zinc/00/24/85/170002485.db2.gz WZULUTBDZYYRJF-YJBOKZPZSA-N 1 1 269.388 3.415 40 0 CGABMO COC(=O)/C(=C\c1ccccc1)C[N@H+]1CCCC[C@H]1C ZINC000005340843 170087799 /nfs/dbraw/zinc/08/77/99/170087799.db2.gz CYTSEDNEUSSRPV-IZCBMXNHSA-N 1 1 273.376 3.117 40 0 CGABMO C[C@H]1CCCC[N@H+]1CCCOc1ccccc1C=O ZINC000008731552 170351207 /nfs/dbraw/zinc/35/12/07/170351207.db2.gz ZBTBOTFVUDMAOT-AWEZNQCLSA-N 1 1 261.365 3.142 40 0 CGABMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000022009097 171348715 /nfs/dbraw/zinc/34/87/15/171348715.db2.gz AELJBFRPEBTCSA-HKUYNNGSSA-N 1 1 299.389 3.424 40 0 in-vitro CGABMO CC(C)CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038832418 174157531 /nfs/dbraw/zinc/15/75/31/174157531.db2.gz VFCCASFNNBKEEK-HNNXBMFYSA-N 1 1 288.435 3.304 40 0 CGABMO CCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038858838 174158068 /nfs/dbraw/zinc/15/80/68/174158068.db2.gz XVPJZHMVULWMIX-KRWDZBQOSA-N 1 1 288.435 3.205 40 0 CGABMO Cc1cc(Nc2nccs2)nc([C@@H]2CCCC[N@H+]2C)n1 ZINC000072382353 176388053 /nfs/dbraw/zinc/38/80/53/176388053.db2.gz COMAKCOQKVCAEK-NSHDSACASA-N 1 1 289.408 3.142 40 0 CGABMO Cc1cc(Nc2nccs2)nc([C@@H]2CCCC[N@@H+]2C)n1 ZINC000072382353 176388055 /nfs/dbraw/zinc/38/80/55/176388055.db2.gz COMAKCOQKVCAEK-NSHDSACASA-N 1 1 289.408 3.142 40 0 CGABMO Fc1cc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)ccc1Cl ZINC000072386222 176391448 /nfs/dbraw/zinc/39/14/48/176391448.db2.gz GAUMFFRGEWBDAV-NSHDSACASA-N 1 1 279.746 3.192 40 0 CGABMO Cc1cnc2[nH]c(C3CC3)c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000072395252 176394436 /nfs/dbraw/zinc/39/44/36/176394436.db2.gz YELIVSFTZAXCKE-BETUJISGSA-N 1 1 299.418 3.358 40 0 CGABMO CC[N@@H+](CCOC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005700951 276133484 /nfs/dbraw/zinc/13/34/84/276133484.db2.gz IVITUNMAUPXSGV-RBUKOAKNSA-N 1 1 299.414 3.430 40 0 CGABMO C[C@@H]1Cc2ccccc2CN1c1cc[nH+]c(NC2CC2)n1 ZINC000328984042 279017291 /nfs/dbraw/zinc/01/72/91/279017291.db2.gz HKAXXHCNQNAALZ-GFCCVEGCSA-N 1 1 280.375 3.002 40 0 CGABMO Cc1ccc([C@@H](C)CCN2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000247944777 334291948 /nfs/dbraw/zinc/29/19/48/334291948.db2.gz WBHMAMYMGDAOEJ-SQWLQELKSA-N 1 1 276.424 3.250 40 0 CGABMO CC(C)Oc1ccc(Cl)cc1-c1noc([C@H](C)[NH3+])n1 ZINC000256054061 346399246 /nfs/dbraw/zinc/39/92/46/346399246.db2.gz UUBFEWRLCOVYEQ-QMMMGPOBSA-N 1 1 281.743 3.197 40 0 CGABMO C[N@H+]1CCCCC12CCN(C(=O)[C@]1(C)CC=CCC1)CC2 ZINC000585102446 346724662 /nfs/dbraw/zinc/72/46/62/346724662.db2.gz LWKWOZDRDZPGEO-QGZVFWFLSA-N 1 1 290.451 3.210 40 0 CGABMO Clc1ccc2c(c1)N[C@@H](c1ccccn1)N1CCC[NH+]=C21 ZINC000072342096 282518050 /nfs/dbraw/zinc/51/80/50/282518050.db2.gz MWZUJLGEZHXOHT-MRXNPFEDSA-N 1 1 298.777 3.312 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000124005387 187118469 /nfs/dbraw/zinc/11/84/69/187118469.db2.gz PWJBYTIHVANWKO-OAHLLOKOSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000124005387 187118470 /nfs/dbraw/zinc/11/84/70/187118470.db2.gz PWJBYTIHVANWKO-OAHLLOKOSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000124005387 187118471 /nfs/dbraw/zinc/11/84/71/187118471.db2.gz PWJBYTIHVANWKO-OAHLLOKOSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000121216592 370841415 /nfs/dbraw/zinc/84/14/15/370841415.db2.gz UNBJNQKWPVODGO-MRXNPFEDSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000121216592 370841421 /nfs/dbraw/zinc/84/14/21/370841421.db2.gz UNBJNQKWPVODGO-MRXNPFEDSA-N 1 1 292.386 3.338 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000121216592 370841424 /nfs/dbraw/zinc/84/14/24/370841424.db2.gz UNBJNQKWPVODGO-MRXNPFEDSA-N 1 1 292.386 3.338 40 0 CGABMO O=C(CC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)c1ccccc1 ZINC000001677250 368430332 /nfs/dbraw/zinc/43/03/32/368430332.db2.gz QILOOQAJTKONQY-IYBDPMFKSA-N 1 1 255.361 3.157 40 0 CGABMO COc1ccc2c(c1)C=C(/C=C/C1=CC[N@@H+](C)CC1)CO2 ZINC000012143038 368605039 /nfs/dbraw/zinc/60/50/39/368605039.db2.gz QCAAAVPTLBSDPW-ONEGZZNKSA-N 1 1 283.371 3.289 40 0 CGABMO c1coc(-c2[nH]c3ncccc3c2C[N@H+]2CCCOCC2)c1 ZINC000019345219 368747823 /nfs/dbraw/zinc/74/78/23/368747823.db2.gz RCWUJUQIQOQZTF-UHFFFAOYSA-N 1 1 297.358 3.045 40 0 CGABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccsc1 ZINC000019287514 368748085 /nfs/dbraw/zinc/74/80/85/368748085.db2.gz ARLRGRCOKAIUCH-SWLSCSKDSA-N 1 1 271.389 3.108 40 0 CGABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccsc1 ZINC000019287514 368748090 /nfs/dbraw/zinc/74/80/90/368748090.db2.gz ARLRGRCOKAIUCH-SWLSCSKDSA-N 1 1 271.389 3.108 40 0 CGABMO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccnc2Cl)no1 ZINC000019496387 368753979 /nfs/dbraw/zinc/75/39/79/368753979.db2.gz ZEMSKFSGTAUIPT-SNVBAGLBSA-N 1 1 292.770 3.159 40 0 CGABMO C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccnc2Cl)no1 ZINC000019496387 368753983 /nfs/dbraw/zinc/75/39/83/368753983.db2.gz ZEMSKFSGTAUIPT-SNVBAGLBSA-N 1 1 292.770 3.159 40 0 CGABMO Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1C ZINC000026780460 368864003 /nfs/dbraw/zinc/86/40/03/368864003.db2.gz BISBEBJIEHXHHW-QGZVFWFLSA-N 1 1 291.435 3.308 40 0 CGABMO Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067801145 369730627 /nfs/dbraw/zinc/73/06/27/369730627.db2.gz VBNHPAWKAZXPSA-HNNXBMFYSA-N 1 1 290.407 3.094 40 0 CGABMO CC(C)N(c1ncccc1[C@@H]1CCC[N@H+]1C)C(C)C ZINC000072213001 369815000 /nfs/dbraw/zinc/81/50/00/369815000.db2.gz MSGPOCXYMABHCC-HNNXBMFYSA-N 1 1 261.413 3.472 40 0 CGABMO CCCn1nc(C)cc1C[NH2+]Cc1ccc(F)s1 ZINC000256051338 190003984 /nfs/dbraw/zinc/00/39/84/190003984.db2.gz ITBCKRWNUADYLS-UHFFFAOYSA-N 1 1 267.373 3.092 40 0 CGABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257233967 190016638 /nfs/dbraw/zinc/01/66/38/190016638.db2.gz GRNMOMBULFGJCG-QGZVFWFLSA-N 1 1 296.418 3.116 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1cccs1 ZINC000223362527 376252520 /nfs/dbraw/zinc/25/25/20/376252520.db2.gz IMHZUMSVURJQHC-CQSZACIVSA-N 1 1 294.464 3.061 40 0 CGABMO CC[N@H+]1CC(C)(C)N(C(=O)c2ccccc2)CC1(C)C ZINC000001700429 285183279 /nfs/dbraw/zinc/18/32/79/285183279.db2.gz CXXSGCYZGDXXJS-UHFFFAOYSA-N 1 1 274.408 3.022 40 0 CGABMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC ZINC000048623250 392005393 /nfs/dbraw/zinc/00/53/93/392005393.db2.gz MQSCTDPBYUEFAG-UHFFFAOYSA-N 1 1 258.321 3.070 40 0 CGABMO C[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216056 392200558 /nfs/dbraw/zinc/20/05/58/392200558.db2.gz LJQXCTXRIIGVGZ-OAHLLOKOSA-N 1 1 259.397 3.229 40 0 CGABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1 ZINC000072324440 392206051 /nfs/dbraw/zinc/20/60/51/392206051.db2.gz ZIOAUZBPCQZRLP-WFASDCNBSA-N 1 1 264.800 3.009 40 0 CGABMO COCCNc1c(-c2ccccc2)[nH+]c2cc(C)ccn21 ZINC000004848439 170029311 /nfs/dbraw/zinc/02/93/11/170029311.db2.gz YCQFNWKDIVYACV-UHFFFAOYSA-N 1 1 281.359 3.368 40 0 CGABMO COc1cccc(C=O)c1OCCC[N@H+]1CCCC[C@H]1C ZINC000008731557 170351261 /nfs/dbraw/zinc/35/12/61/170351261.db2.gz YKTBDIHSLXXFHL-CQSZACIVSA-N 1 1 291.391 3.151 40 0 CGABMO CC[C@H]1CCCC[N@H+]1CCOc1ccc(C=O)cc1OC ZINC000020131564 171020182 /nfs/dbraw/zinc/02/01/82/171020182.db2.gz NJGDWSPTZNZAOS-HNNXBMFYSA-N 1 1 291.391 3.151 40 0 CGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccco2)cc1 ZINC000028244538 171553733 /nfs/dbraw/zinc/55/37/33/171553733.db2.gz QILIIUXCXROILI-UHFFFAOYSA-N 1 1 267.288 3.026 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072361653 176377648 /nfs/dbraw/zinc/37/76/48/176377648.db2.gz KMRMMUJQDBSJQG-AWEZNQCLSA-N 1 1 298.390 3.252 40 0 CGABMO c1c[nH]c(C[N@@H+]2CC[C@H](Cc3cnc4ccccc4c3)C2)n1 ZINC000072368025 176382429 /nfs/dbraw/zinc/38/24/29/176382429.db2.gz WTUODQKXDKFKBR-CQSZACIVSA-N 1 1 292.386 3.023 40 0 CGABMO CC(C)[N@H+]1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375923 176385322 /nfs/dbraw/zinc/38/53/22/176385322.db2.gz JKUBYOPIHLEZDK-AWEZNQCLSA-N 1 1 297.406 3.203 40 0 CGABMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cc(O)cc1C ZINC000038817306 276005231 /nfs/dbraw/zinc/00/52/31/276005231.db2.gz BWDXZCNWLNJBBI-OAHLLOKOSA-N 1 1 290.407 3.212 40 0 in-vitro CGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccco1)Cc1ccccn1 ZINC000019527163 279303022 /nfs/dbraw/zinc/30/30/22/279303022.db2.gz GENIFBSXQCGEPA-QGZVFWFLSA-N 1 1 299.418 3.161 40 0 CGABMO CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CC[N@H+]2C ZINC000004896867 288378036 /nfs/dbraw/zinc/37/80/36/288378036.db2.gz JYRBQCWXZNDERM-USXIJHARSA-N 1 1 259.393 3.326 40 0 in-vitro CGABMO c1coc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC000096049291 185073178 /nfs/dbraw/zinc/07/31/78/185073178.db2.gz ILBBJLQNEYKYRN-UHFFFAOYSA-N 1 1 274.408 3.120 40 0 CGABMO c1cc2n(c1)C[C@H](CCOCC1CC1)C[N@@H+](C1CCC1)C2 ZINC000585095287 346724601 /nfs/dbraw/zinc/72/46/01/346724601.db2.gz NORALQMJOHNJIF-INIZCTEOSA-N 1 1 288.435 3.289 40 0 CGABMO Cc1ccccc1C(=O)N1CC[C@@]2(CCC[N@H+]2CC2CC2)C1 ZINC000585099633 346724652 /nfs/dbraw/zinc/72/46/52/346724652.db2.gz UEZCHOABZBKEHR-IBGZPJMESA-N 1 1 298.430 3.086 40 0 CGABMO Cc1cc(-c2ccc(C[C@H]3CC[N@H+](C(C)C)C3)cn2)n[nH]1 ZINC000585180192 346726118 /nfs/dbraw/zinc/72/61/18/346726118.db2.gz AYHQHKQHUUGNRA-OAHLLOKOSA-N 1 1 284.407 3.053 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n[nH]1 ZINC000121287298 138367605 /nfs/dbraw/zinc/36/76/05/138367605.db2.gz RVADREYUHVBPND-CQSZACIVSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)[nH]n1 ZINC000121287298 138367606 /nfs/dbraw/zinc/36/76/06/138367606.db2.gz RVADREYUHVBPND-CQSZACIVSA-N 1 1 280.375 3.271 40 0 CGABMO c1cc([C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)[nH]n1 ZINC000121287298 138367607 /nfs/dbraw/zinc/36/76/07/138367607.db2.gz RVADREYUHVBPND-CQSZACIVSA-N 1 1 280.375 3.271 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1N ZINC000218885403 376191869 /nfs/dbraw/zinc/19/18/69/376191869.db2.gz CZDFEEUDCHNUSS-UIBIWLFHSA-N 1 1 288.435 3.154 40 0 CGABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000218885403 376191876 /nfs/dbraw/zinc/19/18/76/376191876.db2.gz CZDFEEUDCHNUSS-UIBIWLFHSA-N 1 1 288.435 3.154 40 0 CGABMO CCc1nc(N)nc(N)c1-c1ccc(Cl)c([N+]#N)c1 ZINC000005386873 368561448 /nfs/dbraw/zinc/56/14/48/368561448.db2.gz JQBXDBXIJYZMGS-UHFFFAOYSA-N 1 1 275.723 3.008 40 0 CGABMO CC1(C)CC=CC[N@@H+](Cc2ccnn2[C@@H]2CCCCO2)C1 ZINC000012146539 368604966 /nfs/dbraw/zinc/60/49/66/368604966.db2.gz WRQGXTISCNZQJF-INIZCTEOSA-N 1 1 289.423 3.370 40 0 CGABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)o1 ZINC000049169502 369391364 /nfs/dbraw/zinc/39/13/64/369391364.db2.gz ZCCPRINULBOBGC-LBPRGKRZSA-N 1 1 299.330 3.221 40 0 biogenic,in-vitro CGABMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000053906584 369489862 /nfs/dbraw/zinc/48/98/62/369489862.db2.gz USLZOFHFXTUGBC-OAHLLOKOSA-N 1 1 263.381 3.497 40 0 CGABMO CCOc1cc(C[N@H+]2CC[C@@H](CC)C2)ccc1OC ZINC000091929641 370081292 /nfs/dbraw/zinc/08/12/92/370081292.db2.gz ADABDHPILACLIK-CYBMUJFWSA-N 1 1 263.381 3.326 40 0 CGABMO COc1ccc2c(c1)CC[N@H+](Cc1ccccc1)C2 ZINC000097758934 370253071 /nfs/dbraw/zinc/25/30/71/370253071.db2.gz IDPLGDDZKKYYFD-UHFFFAOYSA-N 1 1 253.345 3.254 40 0 CGABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccco2)N1c1ccccc1 ZINC000096056612 370203365 /nfs/dbraw/zinc/20/33/65/370203365.db2.gz RSHLDBAWXXQATR-IAGOWNOFSA-N 1 1 296.370 3.050 40 0 CGABMO CC(C)n1nccc1C[NH2+]Cc1cccc(F)c1F ZINC000256054655 190005640 /nfs/dbraw/zinc/00/56/40/190005640.db2.gz XFPFLMNEAZQVIC-UHFFFAOYSA-N 1 1 265.307 3.032 40 0 CGABMO c1ncc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000257210761 190011980 /nfs/dbraw/zinc/01/19/80/190011980.db2.gz BWBDQCSIGNYLEP-CQSZACIVSA-N 1 1 292.386 3.023 40 0 CGABMO c1nc(C[N@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)c[nH]1 ZINC000257210761 190011981 /nfs/dbraw/zinc/01/19/81/190011981.db2.gz BWBDQCSIGNYLEP-CQSZACIVSA-N 1 1 292.386 3.023 40 0 CGABMO c1nc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)c[nH]1 ZINC000257210761 190011982 /nfs/dbraw/zinc/01/19/82/190011982.db2.gz BWBDQCSIGNYLEP-CQSZACIVSA-N 1 1 292.386 3.023 40 0 CGABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000257212017 190013059 /nfs/dbraw/zinc/01/30/59/190013059.db2.gz CBOSETXNGDZEHB-GFCCVEGCSA-N 1 1 298.365 3.328 40 0 CGABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)s1 ZINC000257217168 190013628 /nfs/dbraw/zinc/01/36/28/190013628.db2.gz CXUUNKKAFQYANE-AWEZNQCLSA-N 1 1 259.378 3.184 40 0 CGABMO COc1ccccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257228122 190016551 /nfs/dbraw/zinc/01/65/51/190016551.db2.gz FSJGVRYXJWHFNC-OAHLLOKOSA-N 1 1 271.364 3.146 40 0 CGABMO COc1ccccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257228122 190016552 /nfs/dbraw/zinc/01/65/52/190016552.db2.gz FSJGVRYXJWHFNC-OAHLLOKOSA-N 1 1 271.364 3.146 40 0 CGABMO Cc1cccc(C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257221296 190014946 /nfs/dbraw/zinc/01/49/46/190014946.db2.gz DOJDQTRCTMPWBM-INIZCTEOSA-N 1 1 281.403 3.240 40 0 CGABMO Cc1cnc([C@@H]2CCC[N@H+](Cc3nccs3)C2)s1 ZINC000257267022 190023335 /nfs/dbraw/zinc/02/33/35/190023335.db2.gz MFQKFEHPDSLDFO-LLVKDONJSA-N 1 1 279.434 3.288 40 0 CGABMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3nccs3)C2)s1 ZINC000257267022 190023336 /nfs/dbraw/zinc/02/33/36/190023336.db2.gz MFQKFEHPDSLDFO-LLVKDONJSA-N 1 1 279.434 3.288 40 0 CGABMO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257328256 190034930 /nfs/dbraw/zinc/03/49/30/190034930.db2.gz XEWGOVCXIFHAPS-HNNXBMFYSA-N 1 1 297.406 3.255 40 0 CGABMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)s1 ZINC000257342597 190037077 /nfs/dbraw/zinc/03/70/77/190037077.db2.gz ZPKKEGREWPFYSF-CYBMUJFWSA-N 1 1 273.405 3.226 40 0 CGABMO [NH3+]CCSc1nc(-c2ccc(-c3ccccc3)cc2)n[nH]1 ZINC000224978722 376289520 /nfs/dbraw/zinc/28/95/20/376289520.db2.gz HSYDIAPBSHHRDP-UHFFFAOYSA-N 1 1 296.399 3.190 40 0 CGABMO CC(C)[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000030691504 391961670 /nfs/dbraw/zinc/96/16/70/391961670.db2.gz FVYUQFQCEOZYHZ-ZDUSSCGKSA-N 1 1 273.298 3.487 40 0 in-man CGABMO CC(C)[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000030691504 391961675 /nfs/dbraw/zinc/96/16/75/391961675.db2.gz FVYUQFQCEOZYHZ-ZDUSSCGKSA-N 1 1 273.298 3.487 40 0 in-man CGABMO CC(C)C[C@H]([NH3+])c1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716587 392133247 /nfs/dbraw/zinc/13/32/47/392133247.db2.gz ATKLTEZHHBYITI-ZDUSSCGKSA-N 1 1 285.347 3.049 40 0 CGABMO CC[N@@H+]1CCCC[C@@H]1c1ccc(Br)nc1 ZINC000072211569 392197599 /nfs/dbraw/zinc/19/75/99/392197599.db2.gz FNBIMNXIIPYWKZ-LLVKDONJSA-N 1 1 269.186 3.391 40 0 CGABMO CC[N@H+]1CCCC[C@@H]1c1ccc(Br)nc1 ZINC000072211569 392197602 /nfs/dbraw/zinc/19/76/02/392197602.db2.gz FNBIMNXIIPYWKZ-LLVKDONJSA-N 1 1 269.186 3.391 40 0 CGABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218685 392200453 /nfs/dbraw/zinc/20/04/53/392200453.db2.gz RFGUTEPEQPDFGW-OAHLLOKOSA-N 1 1 261.413 3.393 40 0 CGABMO Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N ZINC000072218438 392200524 /nfs/dbraw/zinc/20/05/24/392200524.db2.gz DRRZMLRKJCBZSM-GFCCVEGCSA-N 1 1 277.368 3.044 40 0 CGABMO CC(C)CCOc1ccccc1-c1cnc(C[NH3+])o1 ZINC000072220125 392201674 /nfs/dbraw/zinc/20/16/74/392201674.db2.gz VEUOTKFCEDXWQG-UHFFFAOYSA-N 1 1 260.337 3.225 40 0 CGABMO Cc1cc(N2CCCC2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223478 392203268 /nfs/dbraw/zinc/20/32/68/392203268.db2.gz KIZPGEOBGHZWLL-KRWDZBQOSA-N 1 1 268.360 3.072 40 0 CGABMO CC(C)C[N@H+]1CCC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096215272 392246906 /nfs/dbraw/zinc/24/69/06/392246906.db2.gz PRZFXCNAKBRMPP-QGZVFWFLSA-N 1 1 273.424 3.030 40 0 CGABMO O=C(C[NH2+]Cc1ccco1)Nc1cccc(Cl)c1Cl ZINC000004949974 170044600 /nfs/dbraw/zinc/04/46/00/170044600.db2.gz LLUQKVZLIIKTDS-UHFFFAOYSA-N 1 1 299.157 3.315 40 0 CGABMO O=C(Cc1ccccc1)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005647027 170123503 /nfs/dbraw/zinc/12/35/03/170123503.db2.gz ANRKBSNCMOEINP-SJORKVTESA-N 1 1 287.403 3.037 40 0 biogenic,in-vitro CGABMO Cc1ccc(NC(=[NH2+])c2cnn(-c3ccccc3)c2N)cc1 ZINC000020799524 171272716 /nfs/dbraw/zinc/27/27/16/171272716.db2.gz HWEKVXOTDJCOEM-UHFFFAOYSA-N 1 1 291.358 3.200 40 0 CGABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3C(C)C)n2)nc1 ZINC000072377455 176385608 /nfs/dbraw/zinc/38/56/08/176385608.db2.gz NLATYIRTCIFXSN-OAHLLOKOSA-N 1 1 297.406 3.469 40 0 CGABMO CCCNc1ncc(C[NH2+]Cc2ccccc2Cl)cn1 ZINC000062717678 262302544 /nfs/dbraw/zinc/30/25/44/262302544.db2.gz WGFDCDXMOCLLID-UHFFFAOYSA-N 1 1 290.798 3.242 40 0 CGABMO C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000019366235 275393478 /nfs/dbraw/zinc/39/34/78/275393478.db2.gz QHYOXODERCRGTD-USTZCAOPSA-N 1 1 276.468 3.230 40 0 CGABMO CCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000218744171 276014179 /nfs/dbraw/zinc/01/41/79/276014179.db2.gz ABIUUKNUNRYAKJ-UHFFFAOYSA-N 1 1 254.171 3.217 40 0 CGABMO c1ccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCOC2)cc1 ZINC000072398436 526468452 /nfs/dbraw/zinc/46/84/52/526468452.db2.gz WPFLSAYKHQXLTG-QGZVFWFLSA-N 1 1 282.387 3.120 40 0 CGABMO c1cc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)co1 ZINC000096049293 185073604 /nfs/dbraw/zinc/07/36/04/185073604.db2.gz PHWUJWAHRYHJMQ-UHFFFAOYSA-N 1 1 274.408 3.120 40 0 CGABMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096056714 185077977 /nfs/dbraw/zinc/07/79/77/185077977.db2.gz WLUZQRWPHGWGOF-JKSUJKDBSA-N 1 1 295.448 3.074 40 0 CGABMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CC[C@@H]2O1 ZINC000096070525 185086391 /nfs/dbraw/zinc/08/63/91/185086391.db2.gz RBFGSLAVALTHFZ-YEWWUXTCSA-N 1 1 282.387 3.234 40 0 CGABMO C[C@@H]1C[C@@](O)(Cc2cccc3ccccc32)[C@@H](C)C[N@H+]1C ZINC000022002489 344893683 /nfs/dbraw/zinc/89/36/83/344893683.db2.gz NVBSQIZIZBOTAX-QMTMVMCOSA-N 1 1 283.415 3.474 40 0 CGABMO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000046959903 345047479 /nfs/dbraw/zinc/04/74/79/345047479.db2.gz MKNWQEMCMBUTHT-HNNXBMFYSA-N 1 1 288.435 3.155 40 0 CGABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000107751697 186189022 /nfs/dbraw/zinc/18/90/22/186189022.db2.gz WLUZQRWPHGWGOF-HOTGVXAUSA-N 1 1 295.448 3.074 40 0 CGABMO C[N@H+]1CCC(=O)C(c2ccccc2)(c2ccccc2)CC1 ZINC000001681676 368431512 /nfs/dbraw/zinc/43/15/12/368431512.db2.gz MADWTYLXETXWLD-UHFFFAOYSA-N 1 1 279.383 3.267 40 0 CGABMO Cc1ccsc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000019238608 368746082 /nfs/dbraw/zinc/74/60/82/368746082.db2.gz XYUVWJONYGFYEN-SWLSCSKDSA-N 1 1 285.416 3.417 40 0 CGABMO CC(C)(C)C[N@H+]1CC[C@H](c2nnc(-c3ccco3)o2)C1 ZINC000049169510 369391420 /nfs/dbraw/zinc/39/14/20/369391420.db2.gz JESPBQIGLLRZCQ-NSHDSACASA-N 1 1 275.352 3.165 40 0 biogenic,in-vitro CGABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000072227841 369817674 /nfs/dbraw/zinc/81/76/74/369817674.db2.gz BTCIJQGBGBLYCM-SJORKVTESA-N 1 1 280.371 3.027 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccncc2)no1 ZINC000019119469 541854267 /nfs/dbraw/zinc/85/42/67/541854267.db2.gz NBESNHZAMQGCCP-MRXNPFEDSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccncc2)no1 ZINC000019119469 541854272 /nfs/dbraw/zinc/85/42/72/541854272.db2.gz NBESNHZAMQGCCP-MRXNPFEDSA-N 1 1 271.364 3.495 40 0 CGABMO Cc1cc(C)c(C[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1C ZINC000248122112 189945121 /nfs/dbraw/zinc/94/51/21/189945121.db2.gz YGAUHRIAVQQHDT-JFIYKMOQSA-N 1 1 275.436 3.246 40 0 CGABMO Cc1cc(-c2cccc(C[C@@H]3CC[N@H+](C(C)C)C3)n2)n[nH]1 ZINC000257207875 190012067 /nfs/dbraw/zinc/01/20/67/190012067.db2.gz BJSVGPSABNXNKO-AWEZNQCLSA-N 1 1 284.407 3.053 40 0 CGABMO Cc1nccc([C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257248162 190019816 /nfs/dbraw/zinc/01/98/16/190019816.db2.gz JCKBHPVZPCODGC-INIZCTEOSA-N 1 1 299.393 3.346 40 0 CGABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccsc3)C2)n1 ZINC000257278238 190025399 /nfs/dbraw/zinc/02/53/99/190025399.db2.gz OBKQJYRHCAUSSP-AWEZNQCLSA-N 1 1 273.405 3.226 40 0 CGABMO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2ccc(C)o2)n1 ZINC000257284203 190026570 /nfs/dbraw/zinc/02/65/70/190026570.db2.gz PBSPMEYEEIKQEZ-OAHLLOKOSA-N 1 1 286.379 3.147 40 0 CGABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2ccc(C)o2)n1 ZINC000257284203 190026571 /nfs/dbraw/zinc/02/65/71/190026571.db2.gz PBSPMEYEEIKQEZ-OAHLLOKOSA-N 1 1 286.379 3.147 40 0 CGABMO C[N@H+](Cc1ccccc1)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257287546 190027235 /nfs/dbraw/zinc/02/72/35/190027235.db2.gz PQKPRQZEPCZQQD-KRWDZBQOSA-N 1 1 297.402 3.350 40 0 CGABMO C[N@@H+](Cc1ccccc1)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257287546 190027236 /nfs/dbraw/zinc/02/72/36/190027236.db2.gz PQKPRQZEPCZQQD-KRWDZBQOSA-N 1 1 297.402 3.350 40 0 CGABMO CC(C)n1nccc1C[N@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257288061 190027308 /nfs/dbraw/zinc/02/73/08/190027308.db2.gz PSQFMJJLHSCDRD-KRWDZBQOSA-N 1 1 298.434 3.456 40 0 CGABMO Cc1cc(CC[C@H]2CCC[N@H+]2CC2CCOCC2)ccn1 ZINC000257311689 190031643 /nfs/dbraw/zinc/03/16/43/190031643.db2.gz UKQAARSVVGOQES-GOSISDBHSA-N 1 1 288.435 3.214 40 0 CGABMO Cc1cc(C[N@@H+]2CCC[C@H](c3ncc(C)s3)C2)no1 ZINC000257301000 190029123 /nfs/dbraw/zinc/02/91/23/190029123.db2.gz RWMXNQXZUHBZGN-LBPRGKRZSA-N 1 1 277.393 3.128 40 0 CGABMO Cc1cc(C[N@H+]2CCC[C@H](c3ncc(C)s3)C2)no1 ZINC000257301000 190029124 /nfs/dbraw/zinc/02/91/24/190029124.db2.gz RWMXNQXZUHBZGN-LBPRGKRZSA-N 1 1 277.393 3.128 40 0 CGABMO C[N@H+]1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257319276 190033298 /nfs/dbraw/zinc/03/32/98/190033298.db2.gz VRQOZFKITYQNOR-CYBMUJFWSA-N 1 1 274.339 3.214 40 0 CGABMO CC(C)[N@H+]1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1 ZINC000257338987 190037286 /nfs/dbraw/zinc/03/72/86/190037286.db2.gz YZSILVDEQJKNOR-ZDUSSCGKSA-N 1 1 287.432 3.478 40 0 CGABMO C[C@@H](c1ccco1)[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000013568430 296242844 /nfs/dbraw/zinc/24/28/44/296242844.db2.gz DMRLXZQPIQCQNN-NSHDSACASA-N 1 1 261.369 3.493 40 0 CGABMO C[C@@H](c1ccco1)[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000013568430 296242847 /nfs/dbraw/zinc/24/28/47/296242847.db2.gz DMRLXZQPIQCQNN-NSHDSACASA-N 1 1 261.369 3.493 40 0 CGABMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220571 391954616 /nfs/dbraw/zinc/95/46/16/391954616.db2.gz KYYGBOLBXWBOAP-CQSZACIVSA-N 1 1 294.826 3.077 40 0 CGABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212620 392198855 /nfs/dbraw/zinc/19/88/55/392198855.db2.gz FVBZHBWSCXYWJW-OAHLLOKOSA-N 1 1 261.413 3.475 40 0 CGABMO Cc1cc(N)[nH+]cc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072218528 392199764 /nfs/dbraw/zinc/19/97/64/392199764.db2.gz FOFZFTIESPVZQT-ZDUSSCGKSA-N 1 1 291.395 3.434 40 0 CGABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218625 392200054 /nfs/dbraw/zinc/20/00/54/392200054.db2.gz VQZKQHTUSDSFJF-OAHLLOKOSA-N 1 1 261.413 3.393 40 0 CGABMO Cc1cc2[nH]c(C3=CC[N@@H+](C)CC3)nc2cc1Cl ZINC000073636244 392213267 /nfs/dbraw/zinc/21/32/67/392213267.db2.gz COBFCDJGCJJMIE-UHFFFAOYSA-N 1 1 261.756 3.244 40 0 CGABMO Cc1cc2nc(C3=CC[N@H+](C)CC3)[nH]c2cc1Cl ZINC000073636244 392213268 /nfs/dbraw/zinc/21/32/68/392213268.db2.gz COBFCDJGCJJMIE-UHFFFAOYSA-N 1 1 261.756 3.244 40 0 CGABMO C[N@H+]1CCC[C@H]1COCc1cccc(Br)c1 ZINC000096525815 392257674 /nfs/dbraw/zinc/25/76/74/392257674.db2.gz TXHQMYPZWWEMRS-ZDUSSCGKSA-N 1 1 284.197 3.060 40 0 CGABMO CC(C)C[N@H+]1CCC[C@@H](c2cccc3nccn32)C1 ZINC000257220904 393135894 /nfs/dbraw/zinc/13/58/94/393135894.db2.gz DMSOQAFIXIIMGJ-CQSZACIVSA-N 1 1 257.381 3.170 40 0 CGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000072227473 292128493 /nfs/dbraw/zinc/12/84/93/292128493.db2.gz VAIMTZZLMMOZAL-CABCVRRESA-N 1 1 286.762 3.064 40 0 CGABMO C[C@H](CCCO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001683543 169741010 /nfs/dbraw/zinc/74/10/10/169741010.db2.gz BZUKCXDUDOUBKN-SNVBAGLBSA-N 1 1 264.756 3.461 40 0 in-vitro CGABMO C[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000022119762 171353320 /nfs/dbraw/zinc/35/33/20/171353320.db2.gz GRAJWDURRPOIRR-RXMQYKEDSA-N 1 1 258.108 3.063 40 0 CGABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000035442893 172202875 /nfs/dbraw/zinc/20/28/75/172202875.db2.gz PSRZHRROKHILLW-ZDUSSCGKSA-N 1 1 296.349 3.087 40 0 biogenic,in-vitro CGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2Br)C1 ZINC000037460440 173224405 /nfs/dbraw/zinc/22/44/05/173224405.db2.gz UKSFEDFIBQWRBQ-SNVBAGLBSA-N 1 1 283.213 3.263 40 0 CGABMO CC(C)CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038832417 174157289 /nfs/dbraw/zinc/15/72/89/174157289.db2.gz VFCCASFNNBKEEK-OAHLLOKOSA-N 1 1 288.435 3.304 40 0 CGABMO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)c1 ZINC000072398235 176396421 /nfs/dbraw/zinc/39/64/21/176396421.db2.gz JTAMNUOMVMRFFD-KDOFPFPSSA-N 1 1 295.386 3.055 40 0 CGABMO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)c1 ZINC000072398235 176396423 /nfs/dbraw/zinc/39/64/23/176396423.db2.gz JTAMNUOMVMRFFD-KDOFPFPSSA-N 1 1 295.386 3.055 40 0 CGABMO CC[NH+](CC)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000000520500 279091673 /nfs/dbraw/zinc/09/16/73/279091673.db2.gz LHDCIPAKGLJYSI-IOASZLSFSA-N 1 1 267.413 3.086 40 0 CGABMO COc1cccc(OC)c1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072221424 295311193 /nfs/dbraw/zinc/31/11/93/295311193.db2.gz REGAZJSOJUWIKR-ZDUSSCGKSA-N 1 1 263.381 3.497 40 0 CGABMO C[N@H+]1CCCCC12CCN(Cc1ccsc1)CC2 ZINC000096051192 185074829 /nfs/dbraw/zinc/07/48/29/185074829.db2.gz WPPAXKJENHRUGM-UHFFFAOYSA-N 1 1 264.438 3.198 40 0 CGABMO CCCn1nccc1-c1ncccc1C[C@@H]1CCC[N@@H+](C)C1 ZINC000585180195 346725707 /nfs/dbraw/zinc/72/57/07/346725707.db2.gz IVKHWRFSWMIGIC-HNNXBMFYSA-N 1 1 298.434 3.239 40 0 CGABMO C[C@@H](C[N@@H+](CCO)Cc1cccs1)c1ccccc1 ZINC000013997440 368673070 /nfs/dbraw/zinc/67/30/70/368673070.db2.gz RMKWJADYBVERGF-AWEZNQCLSA-N 1 1 275.417 3.346 40 0 CGABMO CC1CCC([NH+]2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019900079 368775670 /nfs/dbraw/zinc/77/56/70/368775670.db2.gz ALKCVQHSCHWEHN-YRUNKUHOSA-N 1 1 288.479 3.395 40 0 CGABMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000036576567 369023631 /nfs/dbraw/zinc/02/36/31/369023631.db2.gz CLXJBSWMGNPNLE-BBWFWOEESA-N 1 1 291.435 3.306 40 0 CGABMO Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067801166 369730839 /nfs/dbraw/zinc/73/08/39/369730839.db2.gz VBNHPAWKAZXPSA-OAHLLOKOSA-N 1 1 290.407 3.094 40 0 CGABMO CC[C@H](C)n1nccc1C[NH2+]Cc1ccc(F)s1 ZINC000256054243 190004806 /nfs/dbraw/zinc/00/48/06/190004806.db2.gz VOOARVAXFOCZMY-JTQLQIEISA-N 1 1 267.373 3.345 40 0 CGABMO Cn1cccc1C[N@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257211003 190012049 /nfs/dbraw/zinc/01/20/49/190012049.db2.gz BXBOLGFLSQZGNJ-MRXNPFEDSA-N 1 1 269.392 3.017 40 0 CGABMO c1ncc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000257210760 190012609 /nfs/dbraw/zinc/01/26/09/190012609.db2.gz BWBDQCSIGNYLEP-AWEZNQCLSA-N 1 1 292.386 3.023 40 0 CGABMO c1nc(C[N@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)c[nH]1 ZINC000257210760 190012610 /nfs/dbraw/zinc/01/26/10/190012610.db2.gz BWBDQCSIGNYLEP-AWEZNQCLSA-N 1 1 292.386 3.023 40 0 CGABMO c1nc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)c[nH]1 ZINC000257210760 190012611 /nfs/dbraw/zinc/01/26/11/190012611.db2.gz BWBDQCSIGNYLEP-AWEZNQCLSA-N 1 1 292.386 3.023 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000257217634 190013673 /nfs/dbraw/zinc/01/36/73/190013673.db2.gz CZWFJBAXHREUQL-OAHLLOKOSA-N 1 1 270.380 3.149 40 0 CGABMO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000257217634 190013674 /nfs/dbraw/zinc/01/36/74/190013674.db2.gz CZWFJBAXHREUQL-OAHLLOKOSA-N 1 1 270.380 3.149 40 0 CGABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3cccs3)C2)n1 ZINC000257254969 190020975 /nfs/dbraw/zinc/02/09/75/190020975.db2.gz KFNUVPBWFUJSBJ-CYBMUJFWSA-N 1 1 273.405 3.144 40 0 CGABMO Cc1cc(-c2cc(C[C@H]3CCC[N@H+](C(C)C)C3)ccn2)n[nH]1 ZINC000257266080 190023274 /nfs/dbraw/zinc/02/32/74/190023274.db2.gz MBLRHIJDIKNVEP-MRXNPFEDSA-N 1 1 298.434 3.443 40 0 CGABMO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C)o2)n1 ZINC000257284202 190026027 /nfs/dbraw/zinc/02/60/27/190026027.db2.gz PBSPMEYEEIKQEZ-HNNXBMFYSA-N 1 1 286.379 3.147 40 0 CGABMO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2ccc(C)o2)n1 ZINC000257284202 190026028 /nfs/dbraw/zinc/02/60/28/190026028.db2.gz PBSPMEYEEIKQEZ-HNNXBMFYSA-N 1 1 286.379 3.147 40 0 CGABMO COc1ccccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000257318161 190032580 /nfs/dbraw/zinc/03/25/80/190032580.db2.gz VMSWCVFCLDGABF-CYBMUJFWSA-N 1 1 288.416 3.216 40 0 CGABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 ZINC000248079709 377265697 /nfs/dbraw/zinc/26/56/97/377265697.db2.gz ACSZNQVPNYRNTG-RTBURBONSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccco3)C[C@@H]12 ZINC000248079709 377265701 /nfs/dbraw/zinc/26/57/01/377265701.db2.gz ACSZNQVPNYRNTG-RTBURBONSA-N 1 1 296.414 3.127 40 0 CGABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccco3)C[C@@H]12 ZINC000248079709 377265705 /nfs/dbraw/zinc/26/57/05/377265705.db2.gz ACSZNQVPNYRNTG-RTBURBONSA-N 1 1 296.414 3.127 40 0 CGABMO Cc1cc(NC(C)C)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223000 256706140 /nfs/dbraw/zinc/70/61/40/256706140.db2.gz VJPCKOHCZFTCBR-UHFFFAOYSA-N 1 1 279.384 3.235 40 0 CGABMO CCN(C)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072212719 392198476 /nfs/dbraw/zinc/19/84/76/392198476.db2.gz ANWWBWWRLUAXCM-HNNXBMFYSA-N 1 1 261.413 3.331 40 0 CGABMO Cc1cc([C@@H]2CCCC[N@@H+]2C)cnc1N1CCCC1 ZINC000072218814 392200000 /nfs/dbraw/zinc/20/00/00/392200000.db2.gz HTWDJDNYYMJXDO-HNNXBMFYSA-N 1 1 259.397 3.147 40 0 CGABMO Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N ZINC000072218477 392200708 /nfs/dbraw/zinc/20/07/08/392200708.db2.gz MVBJDMJNBGYVCS-MRXNPFEDSA-N 1 1 295.386 3.340 40 0 CGABMO CC(C)(C)COc1cccc(-c2cnc(C[NH3+])o2)c1 ZINC000072220120 392201860 /nfs/dbraw/zinc/20/18/60/392201860.db2.gz ULRGHLVVQNCXPC-UHFFFAOYSA-N 1 1 260.337 3.225 40 0 CGABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223502 392203352 /nfs/dbraw/zinc/20/33/52/392203352.db2.gz DCKLULAKTFFFOE-SFHVURJKSA-N 1 1 282.387 3.462 40 0 CGABMO Cc1cc(Nc2c(Cl)cccc2Cl)nc(N)[nH+]1 ZINC000156481408 392547541 /nfs/dbraw/zinc/54/75/41/392547541.db2.gz WRICQJAIEIFFSD-UHFFFAOYSA-N 1 1 269.135 3.418 40 0 CGABMO CC(C)C[N@H+]1CCC[C@H](c2cccc3nccn32)C1 ZINC000257220903 393135782 /nfs/dbraw/zinc/13/57/82/393135782.db2.gz DMSOQAFIXIIMGJ-AWEZNQCLSA-N 1 1 257.381 3.170 40 0 CGABMO COc1cc2c(cc1OC)[C@H](CC(C)C)[N@@H+](C)CC2 ZINC000003848583 286260525 /nfs/dbraw/zinc/26/05/25/286260525.db2.gz XLYGKISSKFHOEE-AWEZNQCLSA-N 1 1 263.381 3.279 40 0 CGABMO O=C(Cc1ccccc1)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005682319 170127954 /nfs/dbraw/zinc/12/79/54/170127954.db2.gz ANRKBSNCMOEINP-IAGOWNOFSA-N 1 1 287.403 3.037 40 0 biogenic,in-vitro CGABMO O[C@H]1CCC[C@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000006567594 170214242 /nfs/dbraw/zinc/21/42/42/170214242.db2.gz QBOSUFUCBZTWSO-BONVTDFDSA-N 1 1 276.767 3.461 40 0 CGABMO C[C@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000022119774 171353406 /nfs/dbraw/zinc/35/34/06/171353406.db2.gz BUAMSSPNELFEHH-YFKPBYRVSA-N 1 1 258.108 3.063 40 0 CGABMO Fc1ccc(C[N@H+]2CCC[C@H](c3cnccn3)C2)cc1F ZINC000072369372 176384190 /nfs/dbraw/zinc/38/41/90/176384190.db2.gz UQJPUJQECLTKLU-ZDUSSCGKSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3cnccn3)C2)c1 ZINC000072369376 176384344 /nfs/dbraw/zinc/38/43/44/176384344.db2.gz KEPHUZMFUJQULM-LBPRGKRZSA-N 1 1 289.329 3.134 40 0 CGABMO Fc1ccc(F)c(C[N@H+]2CCC[C@H](c3cnccn3)C2)c1 ZINC000072369376 176384345 /nfs/dbraw/zinc/38/43/45/176384345.db2.gz KEPHUZMFUJQULM-LBPRGKRZSA-N 1 1 289.329 3.134 40 0 CGABMO Cc1cncc([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072385393 176389796 /nfs/dbraw/zinc/38/97/96/176389796.db2.gz HIJZZJWFYADRJD-MRXNPFEDSA-N 1 1 297.402 3.043 40 0 CGABMO CO[C@H]1CC[N@@H+](Cc2cccc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000096215830 274080517 /nfs/dbraw/zinc/08/05/17/274080517.db2.gz JZVDREQPBACFHY-FHWLQOOXSA-N 1 1 297.398 3.218 40 0 CGABMO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257328257 301034273 /nfs/dbraw/zinc/03/42/73/301034273.db2.gz XEWGOVCXIFHAPS-OAHLLOKOSA-N 1 1 297.406 3.255 40 0 CGABMO CC[C@@H]1[N@@H+](Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2 ZINC000096052395 185074908 /nfs/dbraw/zinc/07/49/08/185074908.db2.gz OXZGFXMLPYRBOA-HOCLYGCPSA-N 1 1 292.448 3.080 40 0 CGABMO CC(C)N1C[C@@]2(CCC[N@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000585099442 346724239 /nfs/dbraw/zinc/72/42/39/346724239.db2.gz JNQCJPAYAYGKAR-QAPCUYQASA-N 1 1 286.419 3.080 40 0 CGABMO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2ccsc2)C1 ZINC000585094666 346724461 /nfs/dbraw/zinc/72/44/61/346724461.db2.gz VQCXPAFUUVJXDH-CQSZACIVSA-N 1 1 290.432 3.218 40 0 CGABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585177454 346725747 /nfs/dbraw/zinc/72/57/47/346725747.db2.gz PVJOJDVNAGPKHI-OAHLLOKOSA-N 1 1 280.375 3.189 40 0 CGABMO OCCC[N@@H+](Cc1ccncc1)Cc1cccc(Cl)c1 ZINC000013568174 368656957 /nfs/dbraw/zinc/65/69/57/368656957.db2.gz FDIPJAGXSFFMHG-UHFFFAOYSA-N 1 1 290.794 3.120 40 0 CGABMO Cc1[nH+]ccn1C[C@@H]1CCc2[nH]c3ccccc3c2C1=O ZINC000022002125 368811323 /nfs/dbraw/zinc/81/13/23/368811323.db2.gz NTOYQHBABVCYMC-LBPRGKRZSA-N 1 1 279.343 3.118 40 0 in-vitro CGABMO Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1C ZINC000026780462 368863651 /nfs/dbraw/zinc/86/36/51/368863651.db2.gz BISBEBJIEHXHHW-KRWDZBQOSA-N 1 1 291.435 3.308 40 0 CGABMO C[N@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358361 369817692 /nfs/dbraw/zinc/81/76/92/369817692.db2.gz IQZMCBJYRVGMQV-CYBMUJFWSA-N 1 1 271.339 3.092 40 0 CGABMO C[N@H+]1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000082337875 370002756 /nfs/dbraw/zinc/00/27/56/370002756.db2.gz HHUIMFXANRBIGA-SECBINFHSA-N 1 1 287.190 3.274 40 0 CGABMO CCCOc1c(C)cc(-c2noc([C@@H](C)[NH3+])n2)cc1C ZINC000095095346 370174732 /nfs/dbraw/zinc/17/47/32/370174732.db2.gz RPZDBSUSNHHDHI-LLVKDONJSA-N 1 1 275.352 3.162 40 0 CGABMO CC(C)[N@H+]1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC000096189518 370207307 /nfs/dbraw/zinc/20/73/07/370207307.db2.gz AMGXADFTJMLWPT-UHFFFAOYSA-N 1 1 299.418 3.073 40 0 CGABMO C/C(=C\c1ccccc1)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291023053 372095859 /nfs/dbraw/zinc/09/58/59/372095859.db2.gz AODZXFUBOLKFRH-GLNPCMGASA-N 1 1 281.346 3.039 40 0 CGABMO CC(C)c1cc(C[NH2+]Cc2cc(F)ccc2F)n(C)n1 ZINC000256052105 190004104 /nfs/dbraw/zinc/00/41/04/190004104.db2.gz LXTCAMFHMLQFBA-UHFFFAOYSA-N 1 1 279.334 3.112 40 0 CGABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cccs2)n1 ZINC000257243995 190019286 /nfs/dbraw/zinc/01/92/86/190019286.db2.gz IJLJIMQUBVJEQF-CQSZACIVSA-N 1 1 288.420 3.307 40 0 CGABMO Cc1cc(-c2cccc([C@@H]3CCC[N@H+](C(C)C)C3)n2)n[nH]1 ZINC000257302038 190030716 /nfs/dbraw/zinc/03/07/16/190030716.db2.gz SBDWNGFEKGPIRG-CQSZACIVSA-N 1 1 284.407 3.368 40 0 CGABMO CC[NH+]1CCN(c2c(Cl)cccc2-n2cccc2)CC1 ZINC000226246252 376346330 /nfs/dbraw/zinc/34/63/30/376346330.db2.gz PKSIAQCITPFUIM-UHFFFAOYSA-N 1 1 289.810 3.273 40 0 CGABMO CC1CCC2(CC1)CC[NH+](CCCN(C)C)CC2 ZINC000001698933 391913434 /nfs/dbraw/zinc/91/34/34/391913434.db2.gz FMMRMWJPNUTOMH-UHFFFAOYSA-N 1 1 252.446 3.230 40 0 CGABMO CC[C@@]12CC[C@@H](O)[C@@H]1[N@@H+](C)CC[C@@H]2Sc1ccccc1 ZINC000005808192 391925522 /nfs/dbraw/zinc/92/55/22/391925522.db2.gz KXKOAQZKAXUINI-QZWWFDLISA-N 1 1 291.460 3.403 40 0 CGABMO COc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069877603 392175856 /nfs/dbraw/zinc/17/58/56/392175856.db2.gz QNMHSZDWJVCMAW-UHFFFAOYSA-N 1 1 274.389 3.319 40 0 CGABMO CNc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212526 392197500 /nfs/dbraw/zinc/19/75/00/392197500.db2.gz CEVNGCRQIWKGSU-MRXNPFEDSA-N 1 1 267.376 3.460 40 0 CGABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215982 392200645 /nfs/dbraw/zinc/20/06/45/392200645.db2.gz BHOPRJPFQJPFAT-HNNXBMFYSA-N 1 1 259.397 3.227 40 0 CGABMO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](CC3CC3)C2)C1=O ZINC000096100313 392245562 /nfs/dbraw/zinc/24/55/62/392245562.db2.gz MWUIETMEXGNTRC-IBGZPJMESA-N 1 1 298.430 3.043 40 0 CGABMO C[N@H+]1CCC[C@@H]1COCc1cccc(Br)c1 ZINC000096525813 392257524 /nfs/dbraw/zinc/25/75/24/392257524.db2.gz TXHQMYPZWWEMRS-CYBMUJFWSA-N 1 1 284.197 3.060 40 0 CGABMO Clc1ccc(-c2nc([C@@H]3CCCC[NH2+]3)no2)cc1 ZINC000040443328 397610887 /nfs/dbraw/zinc/61/08/87/397610887.db2.gz RSZCYMLVVAMPQW-NSHDSACASA-N 1 1 263.728 3.205 40 0 CGABMO C[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1C(=O)[C@H]2CC[C@@H]1C2 ZINC000005048634 170060831 /nfs/dbraw/zinc/06/08/31/170060831.db2.gz GSYMIHNIKDTMFJ-MXASKKJJSA-N 1 1 271.404 3.165 40 0 CGABMO Cc1[nH+]ccn1C[C@H]1CCc2[nH]c3ccccc3c2C1=O ZINC000022002130 171348184 /nfs/dbraw/zinc/34/81/84/171348184.db2.gz NTOYQHBABVCYMC-GFCCVEGCSA-N 1 1 279.343 3.118 40 0 in-vitro CGABMO CC(C)C[C@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441121 173210072 /nfs/dbraw/zinc/21/00/72/173210072.db2.gz WKHWVBBIIZLYIH-VIFPVBQESA-N 1 1 282.185 3.371 40 0 CGABMO Cc1cccc(C[N@H+]2CCC[C@H](Cc3ccccn3)C2)n1 ZINC000072385806 176390644 /nfs/dbraw/zinc/39/06/44/176390644.db2.gz VRCTUQZEIJFFRV-MRXNPFEDSA-N 1 1 281.403 3.240 40 0 CGABMO c1ccc2c(c1)cc[nH+]c2NC[C@H]1CC12CCOCC2 ZINC000527970294 270147257 /nfs/dbraw/zinc/14/72/57/270147257.db2.gz XTHYXQLUHIUPHI-CQSZACIVSA-N 1 1 268.360 3.463 40 0 CGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CCCCC1 ZINC000225756774 567955083 /nfs/dbraw/zinc/95/50/83/567955083.db2.gz GFJKZIOTIAXNQX-MRXNPFEDSA-N 1 1 295.471 3.273 40 0 CGABMO