smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(Oc2ccc(NC3=NCCC3)cc2)cc1 ZINC000004064079 230368231 /nfs/dbraw/zinc/36/82/31/230368231.db2.gz RZGLNPUCMSFEAM-UHFFFAOYSA-N 0 3 252.317 4.083 40 0 CIABHN Cc1nc2cc(C(F)(F)F)ccc2c(N)c1C(C)C ZINC000095534965 185007959 /nfs/dbraw/zinc/00/79/59/185007959.db2.gz JFFBSYFGZXYDSN-UHFFFAOYSA-N 0 3 268.282 4.268 40 0 CIABHN c1ccc(-c2nc3cc(CN4CCCC4)ccc3o2)cc1 ZINC000216789290 189706553 /nfs/dbraw/zinc/70/65/53/189706553.db2.gz RNYLTMRZNDGSFM-UHFFFAOYSA-N 0 3 278.355 4.091 40 0 CIABHN Cc1ccsc1CN1CCC[C@H]1c1cccc2nccn21 ZINC000257254108 190020811 /nfs/dbraw/zinc/02/08/11/190020811.db2.gz KBQMPLXVMPPNHL-AWEZNQCLSA-N 0 3 297.427 4.041 40 0 CIABHN Cc1sc2nc(-c3cc4ccccc4o3)cn2c1C ZINC000006412623 170199597 /nfs/dbraw/zinc/19/95/97/170199597.db2.gz LDCJLGVSJFWJPW-UHFFFAOYSA-N 0 3 268.341 4.426 40 0 CIABHN CCCCNCc1cc(Cl)ccc1OCCCC ZINC000072209105 176342832 /nfs/dbraw/zinc/34/28/32/176342832.db2.gz JASUPCQGAKEBGE-UHFFFAOYSA-N 0 3 269.816 4.409 40 0 CIABHN CC(C)CN1CCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217485 567920669 /nfs/dbraw/zinc/92/06/69/567920669.db2.gz WGQAZXZYYLSNJB-HNNXBMFYSA-N 0 3 278.465 4.375 40 0 CIABHN CCN1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217557 567920742 /nfs/dbraw/zinc/92/07/42/567920742.db2.gz OMXVTBRCUXTEDR-CQSZACIVSA-N 0 3 264.438 4.129 40 0 CIABHN Clc1ccc([C@@H]2NCCc3ccccc32)cc1Cl ZINC000070209428 567116568 /nfs/dbraw/zinc/11/65/68/567116568.db2.gz UOWYFERBGSCIER-HNNXBMFYSA-N 0 3 278.182 4.229 40 0 CIABHN CCC[C@H]1[C@@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000001195041 567836532 /nfs/dbraw/zinc/83/65/32/567836532.db2.gz YVHNHXUETQZHOA-ZGXWSNOMSA-N 0 3 295.426 4.240 40 0 CIABHN CC(=O)C[C@H](c1ccccc1)c1ccccc1[C@H](C)N(C)C ZINC000001607475 567839378 /nfs/dbraw/zinc/83/93/78/567839378.db2.gz OJRSDRGLDWIRSG-OXJNMPFZSA-N 0 3 295.426 4.420 40 0 CIABHN CN(C)[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2N ZINC000001662430 567840376 /nfs/dbraw/zinc/84/03/76/567840376.db2.gz GYVXPIQTGVJMHH-OAHLLOKOSA-N 0 3 293.197 4.207 40 0 CIABHN CCC(CC)C1(C(=O)OCCN(CC)CC)CCCCC1 ZINC000001719280 567842424 /nfs/dbraw/zinc/84/24/24/567842424.db2.gz CDVKQUHUKXGHCX-UHFFFAOYSA-N 0 3 297.483 4.258 40 0 CIABHN CC[C@@H](C)c1cc(CN(C)C)cc([C@H](C)CC)c1O ZINC000001737450 567842724 /nfs/dbraw/zinc/84/27/24/567842724.db2.gz ABNHYWYMPDTOFQ-CHWSQXEVSA-N 0 3 263.425 4.481 40 0 CIABHN CC[C@@H](C)c1cc(CN(C)C)cc([C@@H](C)CC)c1O ZINC000001737448 567842737 /nfs/dbraw/zinc/84/27/37/567842737.db2.gz ABNHYWYMPDTOFQ-BETUJISGSA-N 0 3 263.425 4.481 40 0 CIABHN Cc1ccc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)cc1 ZINC000012236385 567862602 /nfs/dbraw/zinc/86/26/02/567862602.db2.gz KJJWCNXTZJHTRO-SFHVURJKSA-N 0 3 291.398 4.208 40 0 CIABHN C[C@H](c1ccccc1)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000019366648 567877612 /nfs/dbraw/zinc/87/76/12/567877612.db2.gz FQNIOAVLCZLWON-QZTJIDSGSA-N 0 3 294.442 4.126 40 0 biogenic,in-vitro CIABHN c1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NCc2ccccn2)cc1 ZINC000019373878 567877892 /nfs/dbraw/zinc/87/78/92/567877892.db2.gz BNRPPXMGVYRABI-FYQPLNBISA-N 0 3 292.426 4.144 40 0 CIABHN N[C@@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000019842072 567879223 /nfs/dbraw/zinc/87/92/23/567879223.db2.gz XYZWYYKCNFRYHD-LLVKDONJSA-N 0 3 258.173 4.103 40 0 CIABHN CC(C)Oc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072211888 567917587 /nfs/dbraw/zinc/91/75/87/567917587.db2.gz JYULHSDHESFLOM-SFHVURJKSA-N 0 3 296.414 4.206 40 0 CIABHN Cc1ccnc([C@H]2CCCCN2Cc2ccccc2)c1 ZINC000072211212 567917885 /nfs/dbraw/zinc/91/78/85/567917885.db2.gz WXJYBHIVMVBIPS-GOSISDBHSA-N 0 3 266.388 4.117 40 0 CIABHN CCN1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212131 567918157 /nfs/dbraw/zinc/91/81/57/567918157.db2.gz BGIYLXANXIZRRZ-INIZCTEOSA-N 0 3 268.360 4.031 40 0 CIABHN CC(C)N1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212078 567918222 /nfs/dbraw/zinc/91/82/22/567918222.db2.gz IZEBXRYBBDDRNI-GOSISDBHSA-N 0 3 296.414 4.206 40 0 CIABHN CC(C)N1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212199 567918452 /nfs/dbraw/zinc/91/84/52/567918452.db2.gz PNSOVFKYNCGISX-KRWDZBQOSA-N 0 3 282.387 4.419 40 0 CIABHN CCCN1CCCC[C@H]1c1cccnc1N[C@@H](C)CC ZINC000072213426 567918735 /nfs/dbraw/zinc/91/87/35/567918735.db2.gz RFGGRYKJUZNIIN-HOCLYGCPSA-N 0 3 275.440 4.229 40 0 CIABHN CCCCNc1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072213618 567918741 /nfs/dbraw/zinc/91/87/41/567918741.db2.gz AJXMFGKOLOCKJV-INIZCTEOSA-N 0 3 275.440 4.229 40 0 CIABHN CCCCNc1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072213620 567918775 /nfs/dbraw/zinc/91/87/75/567918775.db2.gz GESOFUSYRGWWGH-KRWDZBQOSA-N 0 3 289.467 4.477 40 0 CIABHN CC[C@H](C)Nc1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072213542 567918945 /nfs/dbraw/zinc/91/89/45/567918945.db2.gz VYSSJYMMUBITHO-GOEBONIOSA-N 0 3 275.440 4.227 40 0 CIABHN CC(C)N1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213978 567919105 /nfs/dbraw/zinc/91/91/05/567919105.db2.gz VNAUPMAXMLUDKY-QGZVFWFLSA-N 0 3 287.451 4.372 40 0 CIABHN CCN1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214190 567919568 /nfs/dbraw/zinc/91/95/68/567919568.db2.gz YIRPIVPBPRSSLB-KRWDZBQOSA-N 0 3 281.403 4.006 40 0 CIABHN CCN1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214215 567919810 /nfs/dbraw/zinc/91/98/10/567919810.db2.gz PHJZIAMBCPVQSW-SFHVURJKSA-N 0 3 295.430 4.396 40 0 CIABHN CCCN1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214140 567919866 /nfs/dbraw/zinc/91/98/66/567919866.db2.gz WGUVCXBIEFZINQ-KRWDZBQOSA-N 0 3 281.403 4.372 40 0 CIABHN CC(C)CN1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217544 567920148 /nfs/dbraw/zinc/92/01/48/567920148.db2.gz FWNRCZVRIMEGJX-OAHLLOKOSA-N 0 3 278.465 4.375 40 0 CIABHN CCCCN1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216108 567920277 /nfs/dbraw/zinc/92/02/77/567920277.db2.gz KJZBDSAABOERGZ-KRWDZBQOSA-N 0 3 287.451 4.009 40 0 CIABHN Cc1cc(=S)[nH]cc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072218346 567921075 /nfs/dbraw/zinc/92/10/75/567921075.db2.gz OAMTTXGCYQVMJY-KRWDZBQOSA-N 0 3 298.455 4.406 40 0 CIABHN CCCCN1CCC[C@@H]1c1cccnc1SCC ZINC000072217186 567921287 /nfs/dbraw/zinc/92/12/87/567921287.db2.gz NJZXMVRRLXXSBY-CQSZACIVSA-N 0 3 264.438 4.131 40 0 CIABHN c1cc([C@@H]2CCCCN2Cc2ccccc2)cs1 ZINC000072221701 567922157 /nfs/dbraw/zinc/92/21/57/567922157.db2.gz CYOUWRXQLIHQAZ-INIZCTEOSA-N 0 3 257.402 4.475 40 0 CIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1SC(C)(C)C ZINC000072222829 567922384 /nfs/dbraw/zinc/92/23/84/567922384.db2.gz JPGAZOLPMGWKOC-HNNXBMFYSA-N 0 3 286.444 4.329 40 0 CIABHN CN(CCC(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000001706290 567937348 /nfs/dbraw/zinc/93/73/48/567937348.db2.gz BMDXERCMKPFTNF-UHFFFAOYSA-N 0 3 287.790 4.045 40 0 CIABHN c1csc(CN(Cc2cccnc2)CC2CCCC2)c1 ZINC000013569685 570284723 /nfs/dbraw/zinc/28/47/23/570284723.db2.gz PDZUCRQWZFBRLZ-UHFFFAOYSA-N 0 3 286.444 4.336 40 0 CIABHN Cc1cc([C@H](N)c2ccccc2)cnc1Oc1ccccc1 ZINC000072222128 256706579 /nfs/dbraw/zinc/70/65/79/256706579.db2.gz NJSMBGIDNHHXQG-GOSISDBHSA-N 0 3 290.366 4.230 40 0 CIABHN CCCN1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213977 256712889 /nfs/dbraw/zinc/71/28/89/256712889.db2.gz ILINSSSWJKBTEJ-KRWDZBQOSA-N 0 3 287.451 4.373 40 0 CIABHN CC[C@]12C=CCN(C1)CCc1c3ccccc3[nH]c1/C=C\2 ZINC000005824101 170143892 /nfs/dbraw/zinc/14/38/92/170143892.db2.gz MSGYVJRBNLKUPF-SCEWNMGZSA-N 0 3 278.399 4.005 40 0 CIABHN Cc1nc(-c2ccccc2)sc1-c1cn2ccccc2n1 ZINC000006412618 170199405 /nfs/dbraw/zinc/19/94/05/170199405.db2.gz ZFOXMRFSDPGBFI-UHFFFAOYSA-N 0 3 291.379 4.433 40 0 CIABHN CCCCN1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211467 567917872 /nfs/dbraw/zinc/91/78/72/567917872.db2.gz NQMBOVPFONOINH-CYBMUJFWSA-N 0 3 252.789 4.062 40 0 CIABHN CCCN1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217542 567920179 /nfs/dbraw/zinc/92/01/79/567920179.db2.gz NLSHNIWLKQEJFO-CQSZACIVSA-N 0 3 264.438 4.129 40 0 CIABHN CCCC[C@](O)(c1ccccc1)c1ccccc1CN(C)C ZINC000002036536 567844219 /nfs/dbraw/zinc/84/42/19/567844219.db2.gz SORQFNAWXRCGCG-FQEVSTJZSA-N 0 3 297.442 4.174 40 0 CIABHN CC(C)CCN1CCN(CCC(C)C)[C@H]2CCCC[C@@H]21 ZINC000019365567 567877438 /nfs/dbraw/zinc/87/74/38/567877438.db2.gz OYSVALUQVIHYRR-ROUUACIJSA-N 0 3 280.500 4.007 40 0 CIABHN c1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2ccccn2)cc1 ZINC000019373880 567878037 /nfs/dbraw/zinc/87/80/37/567878037.db2.gz BNRPPXMGVYRABI-MUGJNUQGSA-N 0 3 292.426 4.144 40 0 CIABHN CN(C)CCOc1ccccc1Oc1cccc(Cl)c1 ZINC000585265077 567910111 /nfs/dbraw/zinc/91/01/11/567910111.db2.gz FKDISMAJGQQESQ-UHFFFAOYSA-N 0 3 291.778 4.073 40 0 CIABHN Cc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072211263 567917591 /nfs/dbraw/zinc/91/75/91/567917591.db2.gz VHLUWTBKMZIZCC-GOSISDBHSA-N 0 3 266.388 4.117 40 0 CIABHN CC(C)CN1CCCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211922 567917679 /nfs/dbraw/zinc/91/76/79/567917679.db2.gz GPXRREBGIKYADD-INIZCTEOSA-N 0 3 276.424 4.052 40 0 CIABHN Cc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072211314 567917830 /nfs/dbraw/zinc/91/78/30/567917830.db2.gz LXCCIPDKAWASAR-SFHVURJKSA-N 0 3 266.388 4.117 40 0 CIABHN Cc1cccnc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072211158 567917892 /nfs/dbraw/zinc/91/78/92/567917892.db2.gz UFBXYVJMTVIDNN-QGZVFWFLSA-N 0 3 266.388 4.117 40 0 CIABHN CCCNc1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072213157 567918243 /nfs/dbraw/zinc/91/82/43/567918243.db2.gz FTMWAILMGPXYPS-MRXNPFEDSA-N 0 3 275.440 4.087 40 0 CIABHN CCCCNc1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072213678 567919091 /nfs/dbraw/zinc/91/90/91/567919091.db2.gz WWWOZXIEBMBIRP-INIZCTEOSA-N 0 3 275.440 4.229 40 0 CIABHN CCCCNc1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072213621 567919318 /nfs/dbraw/zinc/91/93/18/567919318.db2.gz GESOFUSYRGWWGH-QGZVFWFLSA-N 0 3 289.467 4.477 40 0 CIABHN CCCCNc1ncccc1[C@H]1CCCCN1C(C)C ZINC000072213619 567919378 /nfs/dbraw/zinc/91/93/78/567919378.db2.gz AJXMFGKOLOCKJV-MRXNPFEDSA-N 0 3 275.440 4.229 40 0 CIABHN CCN1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214250 567919513 /nfs/dbraw/zinc/91/95/13/567919513.db2.gz OMHYRQDHBZYPQT-KRWDZBQOSA-N 0 3 281.403 4.006 40 0 CIABHN CC(C)Sc1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072217480 567919638 /nfs/dbraw/zinc/91/96/38/567919638.db2.gz ZGLUMENKHRFVLP-CQSZACIVSA-N 0 3 264.438 4.127 40 0 CIABHN CCN1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217352 567919680 /nfs/dbraw/zinc/91/96/80/567919680.db2.gz BDCHRZCUVIALPN-CYBMUJFWSA-N 0 3 264.438 4.129 40 0 CIABHN CC(C)N1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214138 567919951 /nfs/dbraw/zinc/91/99/51/567919951.db2.gz CTGZDFQCYWPVAY-KRWDZBQOSA-N 0 3 281.403 4.371 40 0 CIABHN COc1ccc([C@H]2CCCCN2Cc2ccccc2)c(C)n1 ZINC000072218103 567920259 /nfs/dbraw/zinc/92/02/59/567920259.db2.gz OKEGRWDTXQTUIQ-GOSISDBHSA-N 0 3 296.414 4.126 40 0 CIABHN CCCN1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216121 567920300 /nfs/dbraw/zinc/92/03/00/567920300.db2.gz VLNKZLLKXMAPFM-KRWDZBQOSA-N 0 3 287.451 4.009 40 0 CIABHN CC(C)N1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216702 567920760 /nfs/dbraw/zinc/92/07/60/567920760.db2.gz FSLPYNUPTDYUGR-KRWDZBQOSA-N 0 3 287.451 4.007 40 0 CIABHN CCN1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217558 567920770 /nfs/dbraw/zinc/92/07/70/567920770.db2.gz OMXVTBRCUXTEDR-AWEZNQCLSA-N 0 3 264.438 4.129 40 0 CIABHN CNc1ccc([C@@H]2CCCCN2Cc2ccccc2)c(C)n1 ZINC000072219126 567921492 /nfs/dbraw/zinc/92/14/92/567921492.db2.gz LNSSZIAWWXKORR-SFHVURJKSA-N 0 3 295.430 4.159 40 0 CIABHN CNc1ccc([C@H]2CCCCN2Cc2ccccc2)c(C)n1 ZINC000072219127 567921628 /nfs/dbraw/zinc/92/16/28/567921628.db2.gz LNSSZIAWWXKORR-GOSISDBHSA-N 0 3 295.430 4.159 40 0 CIABHN Cc1cnccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072219540 567921834 /nfs/dbraw/zinc/92/18/34/567921834.db2.gz WRUUONKMGNALDL-GOSISDBHSA-N 0 3 266.388 4.117 40 0 CIABHN c1ccc2c(c1)cccc2CN1CCc2ccccc2C1 ZINC000001487910 567937185 /nfs/dbraw/zinc/93/71/85/567937185.db2.gz SLSCJMMNGDKTLE-UHFFFAOYSA-N 0 3 273.379 4.398 40 0 CIABHN CC(C)(O)CCCN(Cc1ccccc1)Cc1ccccc1 ZINC000096024856 570334996 /nfs/dbraw/zinc/33/49/96/570334996.db2.gz SSYZDSBPTNIOLY-UHFFFAOYSA-N 0 3 297.442 4.240 40 0 CIABHN Cc1nc2ccc(C(F)(F)F)cc2c(N)c1C(C)C ZINC000095534968 185008100 /nfs/dbraw/zinc/00/81/00/185008100.db2.gz ALUWYDLKSFPIJZ-UHFFFAOYSA-N 0 3 268.282 4.268 40 0 CIABHN CCCCN1CCCC[C@H]1c1cccnc1Cl ZINC000072211522 567917421 /nfs/dbraw/zinc/91/74/21/567917421.db2.gz IQSCBDMNKAZIMK-ZDUSSCGKSA-N 0 3 252.789 4.062 40 0 CIABHN COc1ccccc1CN(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000601032724 566995727 /nfs/dbraw/zinc/99/57/27/566995727.db2.gz OPOYXGQXRAORRI-INIZCTEOSA-N 0 3 283.415 4.067 40 0 in-vitro CIABHN CCC1(O)C[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C1 ZINC000001582016 567838767 /nfs/dbraw/zinc/83/87/67/567838767.db2.gz IQHJPMRZLRSPJV-RTBURBONSA-N 0 3 295.426 4.336 40 0 CIABHN CCN(CC)CCOC(=O)C1(CCC(C)C)CCCCC1 ZINC000001719281 567842385 /nfs/dbraw/zinc/84/23/85/567842385.db2.gz BHSHHNNBVMXJNZ-UHFFFAOYSA-N 0 3 297.483 4.258 40 0 in-man CIABHN CC[C@H](C)c1cc(CN(C)C)cc([C@@H](C)CC)c1O ZINC000001737449 567842782 /nfs/dbraw/zinc/84/27/82/567842782.db2.gz ABNHYWYMPDTOFQ-STQMWFEESA-N 0 3 263.425 4.481 40 0 CIABHN CC(C)N1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212198 567918042 /nfs/dbraw/zinc/91/80/42/567918042.db2.gz PNSOVFKYNCGISX-QGZVFWFLSA-N 0 3 282.387 4.419 40 0 CIABHN CCN1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212035 567918262 /nfs/dbraw/zinc/91/82/62/567918262.db2.gz MQVQFLNUOYKTIZ-GOSISDBHSA-N 0 3 296.414 4.208 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cccnc1OC(C)C ZINC000072211983 567918531 /nfs/dbraw/zinc/91/85/31/567918531.db2.gz QKJVEGGCSKISCN-MRXNPFEDSA-N 0 3 276.424 4.196 40 0 CIABHN CCN1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212130 567918558 /nfs/dbraw/zinc/91/85/58/567918558.db2.gz BGIYLXANXIZRRZ-MRXNPFEDSA-N 0 3 268.360 4.031 40 0 CIABHN CCN1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213032 567918630 /nfs/dbraw/zinc/91/86/30/567918630.db2.gz FGAGBYAAZDWQCT-QGZVFWFLSA-N 0 3 289.467 4.252 40 0 CIABHN CC[C@@H](C)Nc1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072213427 567918961 /nfs/dbraw/zinc/91/89/61/567918961.db2.gz XDNGZZLWWCNZMK-ZBFHGGJFSA-N 0 3 275.440 4.227 40 0 CIABHN CC(C)N1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214137 567919535 /nfs/dbraw/zinc/91/95/35/567919535.db2.gz CTGZDFQCYWPVAY-QGZVFWFLSA-N 0 3 281.403 4.371 40 0 CIABHN CC(C)N1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214257 567919787 /nfs/dbraw/zinc/91/97/87/567919787.db2.gz MPPVZYWWPMVMLD-GOSISDBHSA-N 0 3 295.430 4.395 40 0 CIABHN c1cc(SC2CCCCC2)ncc1[C@H]1CCCCN1 ZINC000072217254 567919885 /nfs/dbraw/zinc/91/98/85/567919885.db2.gz UORKNNKYDGMTAE-OAHLLOKOSA-N 0 3 276.449 4.321 40 0 CIABHN Fc1ccc([C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000072221832 567922234 /nfs/dbraw/zinc/92/22/34/567922234.db2.gz JKWRIZVPHCHZGD-KRWDZBQOSA-N 0 3 255.336 4.163 40 0 CIABHN CCCN(CCC)c1cc(C)c([C@@H](N)c2ccccc2)cn1 ZINC000072223298 567922395 /nfs/dbraw/zinc/92/23/95/567922395.db2.gz AARCASNACLAEFM-IBGZPJMESA-N 0 3 297.446 4.065 40 0 CIABHN Clc1ccc2c(c1)[C@H]1CN(Cc3ccccc3)CC[C@@H]1N2 ZINC000001423970 567931569 /nfs/dbraw/zinc/93/15/69/567931569.db2.gz JOMOGEDBRWSELD-AEFFLSMTSA-N 0 3 298.817 4.124 40 0 CIABHN Cc1ccc([C@@H](N)c2ccc(Cl)cc2Cl)cc1 ZINC000019804211 570335275 /nfs/dbraw/zinc/33/52/75/570335275.db2.gz CEFQOHBALNYSIL-CQSZACIVSA-N 0 3 266.171 4.350 40 0 CIABHN CC(C)N1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212138 256713648 /nfs/dbraw/zinc/71/36/48/256713648.db2.gz XICFXDKVDIWEQJ-QGZVFWFLSA-N 0 3 282.387 4.419 40 0 CIABHN Cc1nc2ccc(Br)cc2c(N)c1C(C)C ZINC000061687776 256724547 /nfs/dbraw/zinc/72/45/47/256724547.db2.gz HYYQJGMJUKPGGK-UHFFFAOYSA-N 0 3 279.181 4.011 40 0 CIABHN CCCC[C@H](CN1CCCCC1)C(=O)c1ccccc1 ZINC000006379815 170196225 /nfs/dbraw/zinc/19/62/25/170196225.db2.gz VTNMRUFCVUYBPZ-QGZVFWFLSA-N 0 3 273.420 4.162 40 0 CIABHN CCCNCc1ccc(-c2cc(Cl)ccc2C)o1 ZINC000020158643 171040061 /nfs/dbraw/zinc/04/00/61/171040061.db2.gz HGUYWEAZWOREQM-UHFFFAOYSA-N 0 3 263.768 4.408 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cccnc1Cl ZINC000072211521 567917757 /nfs/dbraw/zinc/91/77/57/567917757.db2.gz IQSCBDMNKAZIMK-CYBMUJFWSA-N 0 3 252.789 4.062 40 0 CIABHN Cc1ccc([C@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000019806995 567123384 /nfs/dbraw/zinc/12/33/84/567123384.db2.gz LPUYXQTZGHIZCF-AWEZNQCLSA-N 0 3 265.278 4.062 40 0 CIABHN CCC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004119594 567855277 /nfs/dbraw/zinc/85/52/77/567855277.db2.gz YVHNHXUETQZHOA-YSTOQKLRSA-N 0 3 295.426 4.240 40 0 CIABHN Cc1cc([C@@H]2CCCCCN2Cc2cccs2)on1 ZINC000012337042 567862795 /nfs/dbraw/zinc/86/27/95/567862795.db2.gz RLOUDGRFQDOSIA-AWEZNQCLSA-N 0 3 276.405 4.162 40 0 CIABHN CC(C)[C@@H](N)c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000096509788 567897713 /nfs/dbraw/zinc/89/77/13/567897713.db2.gz YCWDCLHLZSSMOL-OAHLLOKOSA-N 0 3 288.391 4.080 40 0 CIABHN CCCCN1CCCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211924 567917736 /nfs/dbraw/zinc/91/77/36/567917736.db2.gz HFUQEFGUSGDLAN-INIZCTEOSA-N 0 3 276.424 4.196 40 0 CIABHN CCCCN1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213923 567918935 /nfs/dbraw/zinc/91/89/35/567918935.db2.gz QHBDYZZMZLIGRG-KRWDZBQOSA-N 0 3 287.451 4.373 40 0 CIABHN CCCN1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214019 567919102 /nfs/dbraw/zinc/91/91/02/567919102.db2.gz LEGBOQHAXNJJNU-QGZVFWFLSA-N 0 3 287.451 4.373 40 0 CIABHN CC(C)CNc1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072213274 567919252 /nfs/dbraw/zinc/91/92/52/567919252.db2.gz HFNFZODUZLVOJX-INIZCTEOSA-N 0 3 275.440 4.085 40 0 CIABHN CCCN1CCCC[C@H]1c1cccnc1NCC(C)C ZINC000072213273 567919277 /nfs/dbraw/zinc/91/92/77/567919277.db2.gz XTHYGXQYBYZOSC-INIZCTEOSA-N 0 3 275.440 4.087 40 0 CIABHN CC[C@H](C)Nc1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072213432 567919360 /nfs/dbraw/zinc/91/93/60/567919360.db2.gz XOAVLONQJKSDTM-RDJZCZTQSA-N 0 3 289.467 4.475 40 0 CIABHN COc1ccc([C@@H]2CCCCN2Cc2ccccc2)c(C)n1 ZINC000072218102 567919957 /nfs/dbraw/zinc/91/99/57/567919957.db2.gz OKEGRWDTXQTUIQ-SFHVURJKSA-N 0 3 296.414 4.126 40 0 CIABHN CCN1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214274 567920031 /nfs/dbraw/zinc/92/00/31/567920031.db2.gz FVPVOARHOGYRLX-GOSISDBHSA-N 0 3 295.430 4.396 40 0 CIABHN CCCN1CCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217483 567920369 /nfs/dbraw/zinc/92/03/69/567920369.db2.gz TYWYDMINGSSBEU-AWEZNQCLSA-N 0 3 264.438 4.129 40 0 CIABHN CCCN1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216060 567920576 /nfs/dbraw/zinc/92/05/76/567920576.db2.gz QZBHPMNXAYUCET-QGZVFWFLSA-N 0 3 287.451 4.009 40 0 CIABHN Cc1cc([C@@H]2CCCCN2Cc2ccccc2)c[nH]c1=S ZINC000072218286 567920970 /nfs/dbraw/zinc/92/09/70/567920970.db2.gz VXJPPCHELVJYCR-KRWDZBQOSA-N 0 3 298.455 4.406 40 0 CIABHN Cc1cc([C@H]2CCCN2Cc2ccccc2)c[nH]c1=S ZINC000072218250 567921354 /nfs/dbraw/zinc/92/13/54/567921354.db2.gz RCCGEHJVOKVJCE-MRXNPFEDSA-N 0 3 284.428 4.016 40 0 CIABHN CNc1ncc([C@@H]2CCCCN2Cc2ccccc2)cc1C ZINC000072219006 567921789 /nfs/dbraw/zinc/92/17/89/567921789.db2.gz HNOWLWNOSXATHU-SFHVURJKSA-N 0 3 295.430 4.159 40 0 CIABHN CNc1cc(C)c([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072219067 567921943 /nfs/dbraw/zinc/92/19/43/567921943.db2.gz MKWPFDBVPAKCRL-GOSISDBHSA-N 0 3 295.430 4.159 40 0 CIABHN Cc1cc(Oc2ccccc2)ncc1[C@@H](N)c1ccccc1 ZINC000072223165 567922203 /nfs/dbraw/zinc/92/22/03/567922203.db2.gz GVMISIIHAOJVTG-IBGZPJMESA-N 0 3 290.366 4.230 40 0 CIABHN Fc1ccc([C@H]2CCCN2Cc2ccccc2)cc1 ZINC000072221831 567922319 /nfs/dbraw/zinc/92/23/19/567922319.db2.gz JKWRIZVPHCHZGD-QGZVFWFLSA-N 0 3 255.336 4.163 40 0 CIABHN N[C@@H](c1ccccc1)c1ccc(Sc2ccccc2)nc1 ZINC000072225206 567922603 /nfs/dbraw/zinc/92/26/03/567922603.db2.gz OXUUXMGYZLZKPZ-SFHVURJKSA-N 0 3 292.407 4.281 40 0 CIABHN CCCN(CCC)c1ccc([C@H](N)c2ccccc2)c(C)n1 ZINC000072224339 567922718 /nfs/dbraw/zinc/92/27/18/567922718.db2.gz PVSOVNHAYSNAFC-LJQANCHMSA-N 0 3 297.446 4.065 40 0 CIABHN N[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000019804004 570335198 /nfs/dbraw/zinc/33/51/98/570335198.db2.gz WAUHYSYCFRQOFK-ZDUSSCGKSA-N 0 3 252.144 4.042 40 0 CIABHN CCCCCCNCc1cc(C2CC2)nn1C(C)C ZINC000256055087 190005712 /nfs/dbraw/zinc/00/57/12/190005712.db2.gz ZCCFMMKESVJLON-UHFFFAOYSA-N 0 3 263.429 4.011 40 0 CIABHN Cc1cc(Oc2ccccc2)ncc1[C@H](N)c1ccccc1 ZINC000072223164 256706563 /nfs/dbraw/zinc/70/65/63/256706563.db2.gz GVMISIIHAOJVTG-LJQANCHMSA-N 0 3 290.366 4.230 40 0 CIABHN CCCCN(CCCC)C(=N)OC1CCCCC1 ZINC000004803215 170019092 /nfs/dbraw/zinc/01/90/92/170019092.db2.gz OFJJXJASDYGQOJ-UHFFFAOYSA-N 0 3 254.418 4.173 40 0 CIABHN CCC[C@@H](C(=O)OCCN1CCCC1(C)C)C1CCCC1 ZINC000006381251 170196558 /nfs/dbraw/zinc/19/65/58/170196558.db2.gz HXFJNSFVVSEVMC-MRXNPFEDSA-N 0 3 295.467 4.011 40 0 CIABHN CCCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007261326 170273799 /nfs/dbraw/zinc/27/37/99/170273799.db2.gz KTQHSNOTINTUIV-AWEZNQCLSA-N 0 3 287.403 4.280 40 0 CIABHN Cc1cc(Cl)ncc1[C@H]1CCCCN1CC(C)C ZINC000072217863 567890939 /nfs/dbraw/zinc/89/09/39/567890939.db2.gz FZWGSUBQUXYYNP-CQSZACIVSA-N 0 3 266.816 4.226 40 0 CIABHN CCCN1CCCC[C@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368671 567102959 /nfs/dbraw/zinc/10/29/59/567102959.db2.gz CZNBCILXWIZPGJ-ZBFHGGJFSA-N 0 3 275.440 4.229 40 0 CIABHN CCC[C@H]1C[C@@H](N)c2ccccc2N1C(=O)OC(C)(C)C ZINC000242548062 567194139 /nfs/dbraw/zinc/19/41/39/567194139.db2.gz LBCDYEYYVRLZEA-GXTWGEPZSA-N 0 3 290.407 4.000 40 0 CIABHN C(\c1ccccc1)=C1/CNC/C(=C\c2ccccc2)C1 ZINC000001662214 567840227 /nfs/dbraw/zinc/84/02/27/567840227.db2.gz VJVSOFFOHNGRHQ-VHVWWYSBSA-N 0 3 261.368 4.147 40 0 CIABHN CC[C@H](C)CC1(C(=O)OCCN(CC)CC)CCCCC1 ZINC000001719282 567842543 /nfs/dbraw/zinc/84/25/43/567842543.db2.gz LKBBXGQZBJNDSV-INIZCTEOSA-N 0 3 297.483 4.258 40 0 CIABHN CCCCC1(C(=O)OCCN(CC)CC)CCCCC1 ZINC000001719278 567842604 /nfs/dbraw/zinc/84/26/04/567842604.db2.gz AFSKJHLBHVTXFZ-UHFFFAOYSA-N 0 3 283.456 4.012 40 0 CIABHN CCC[C@H]1[C@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004119593 567855461 /nfs/dbraw/zinc/85/54/61/567855461.db2.gz YVHNHXUETQZHOA-MTQWCTHYSA-N 0 3 295.426 4.240 40 0 CIABHN N[C@H](c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000019842111 567879171 /nfs/dbraw/zinc/87/91/71/567879171.db2.gz IPWBAFUNRJAARV-NSHDSACASA-N 0 3 258.173 4.103 40 0 CIABHN CCCCN1CCC[C@H]1c1cccnc1N[C@H](C)CC ZINC000108368507 567881159 /nfs/dbraw/zinc/88/11/59/567881159.db2.gz KEFNVNQXCGLYGE-ZBFHGGJFSA-N 0 3 275.440 4.229 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cccnc1SC ZINC000072216965 567890733 /nfs/dbraw/zinc/89/07/33/567890733.db2.gz RUEFCLJHZNJBLG-CQSZACIVSA-N 0 3 264.438 4.131 40 0 CIABHN CCCCN1CCCC[C@H]1c1ccc(Cl)nc1C ZINC000072217925 567890924 /nfs/dbraw/zinc/89/09/24/567890924.db2.gz JWZAATCXMVEBKG-AWEZNQCLSA-N 0 3 266.816 4.371 40 0 CIABHN CCCCN1CCCC[C@H]1c1cccnc1OC(C)C ZINC000072211984 567917963 /nfs/dbraw/zinc/91/79/63/567917963.db2.gz QKJVEGGCSKISCN-INIZCTEOSA-N 0 3 276.424 4.196 40 0 CIABHN CCCN1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212140 567918186 /nfs/dbraw/zinc/91/81/86/567918186.db2.gz WDXWWAITGXGHMT-QGZVFWFLSA-N 0 3 282.387 4.421 40 0 CIABHN CCCN1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212200 567918409 /nfs/dbraw/zinc/91/84/09/567918409.db2.gz ZLWMRPBFVOQMDC-QGZVFWFLSA-N 0 3 282.387 4.421 40 0 CIABHN CCCN1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212021 567918474 /nfs/dbraw/zinc/91/84/74/567918474.db2.gz HSHOMJRUZSEVSE-SFHVURJKSA-N 0 3 296.414 4.208 40 0 CIABHN CCCNc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213184 567918494 /nfs/dbraw/zinc/91/84/94/567918494.db2.gz SNEZCSNHHJPNNR-GOSISDBHSA-N 0 3 295.430 4.241 40 0 CIABHN CC[C@@H](C)Nc1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072213431 567918982 /nfs/dbraw/zinc/91/89/82/567918982.db2.gz XOAVLONQJKSDTM-WBVHZDCISA-N 0 3 289.467 4.475 40 0 CIABHN CC(C)N1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214018 567919094 /nfs/dbraw/zinc/91/90/94/567919094.db2.gz SREZSWRECUTNQX-KRWDZBQOSA-N 0 3 287.451 4.372 40 0 CIABHN CCCCNc1ncccc1[C@H]1CCCCN1CCC ZINC000072213617 567919365 /nfs/dbraw/zinc/91/93/65/567919365.db2.gz JAYLNVGHIBCCFX-MRXNPFEDSA-N 0 3 275.440 4.231 40 0 CIABHN CCCN1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214259 567919804 /nfs/dbraw/zinc/91/98/04/567919804.db2.gz NJRQKMAEYHGHND-GOSISDBHSA-N 0 3 295.430 4.396 40 0 CIABHN CCCN1CCC[C@H]1c1cccnc1SC(C)C ZINC000072217543 567920354 /nfs/dbraw/zinc/92/03/54/567920354.db2.gz NLSHNIWLKQEJFO-AWEZNQCLSA-N 0 3 264.438 4.129 40 0 CIABHN Cc1nc(Cl)ccc1[C@@H]1CCCCN1CC(C)C ZINC000072217922 567920382 /nfs/dbraw/zinc/92/03/82/567920382.db2.gz RUPOSQHFZDVNDL-AWEZNQCLSA-N 0 3 266.816 4.226 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217864 567920457 /nfs/dbraw/zinc/92/04/57/567920457.db2.gz HGSADHNGLJJJNR-CQSZACIVSA-N 0 3 266.816 4.371 40 0 CIABHN CCN1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217592 567920490 /nfs/dbraw/zinc/92/04/90/567920490.db2.gz SMGPIPIDCBEKMP-MRXNPFEDSA-N 0 3 284.428 4.390 40 0 CIABHN CC(C)Sc1ncccc1[C@@H]1CCCN1C(C)C ZINC000072217541 567920620 /nfs/dbraw/zinc/92/06/20/567920620.db2.gz ITLOSWPSFIAXBT-AWEZNQCLSA-N 0 3 264.438 4.127 40 0 CIABHN S=c1ccc([C@H]2CCCCN2Cc2ccccc2)c[nH]1 ZINC000072217027 567920999 /nfs/dbraw/zinc/92/09/99/567920999.db2.gz HBLQEZVCAIQIIW-MRXNPFEDSA-N 0 3 284.428 4.098 40 0 CIABHN CCCN(CCC)c1ncc([C@H](N)c2ccccc2)cc1C ZINC000072222258 567922118 /nfs/dbraw/zinc/92/21/18/567922118.db2.gz XMLWPZJFOCEEPE-GOSISDBHSA-N 0 3 297.446 4.065 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cc(OC)ccc1OC ZINC000072221889 567922247 /nfs/dbraw/zinc/92/22/47/567922247.db2.gz JSTRJJLJMBCARG-MRXNPFEDSA-N 0 3 277.408 4.031 40 0 CIABHN CCCCN1CCCC[C@H]1c1cc(OC)ccc1OC ZINC000072221890 567922290 /nfs/dbraw/zinc/92/22/90/567922290.db2.gz JSTRJJLJMBCARG-INIZCTEOSA-N 0 3 277.408 4.031 40 0 CIABHN CCCN(CCC)c1ccc([C@@H](N)c2ccccc2)c(C)n1 ZINC000072224340 567922599 /nfs/dbraw/zinc/92/25/99/567922599.db2.gz PVSOVNHAYSNAFC-IBGZPJMESA-N 0 3 297.446 4.065 40 0 CIABHN c1ccc(Oc2ccccc2OCCN2CCCCC2)cc1 ZINC000003613889 567945651 /nfs/dbraw/zinc/94/56/51/567945651.db2.gz NEBDGPQFDFLLGT-UHFFFAOYSA-N 0 3 297.398 4.344 40 0 CIABHN CN(C)CCOc1ccccc1Oc1ccc(Cl)cc1 ZINC000003610765 567945734 /nfs/dbraw/zinc/94/57/34/567945734.db2.gz LZADXLBJOWWFSD-UHFFFAOYSA-N 0 3 291.778 4.073 40 0 CIABHN CC[C@@H](C)CC1(C(=O)OCCN(CC)CC)CCCCC1 ZINC000006411698 170199109 /nfs/dbraw/zinc/19/91/09/170199109.db2.gz LKBBXGQZBJNDSV-MRXNPFEDSA-N 0 3 297.483 4.258 40 0 CIABHN CC(=O)C[C@H](c1ccccc1)c1ccccc1[C@@H](C)N(C)C ZINC000006443415 170201852 /nfs/dbraw/zinc/20/18/52/170201852.db2.gz OJRSDRGLDWIRSG-OXQOHEQNSA-N 0 3 295.426 4.420 40 0 CIABHN CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000020158610 171040248 /nfs/dbraw/zinc/04/02/48/171040248.db2.gz OJAOVPJEOVWPQU-UHFFFAOYSA-N 0 3 289.684 4.338 40 0 CIABHN COc1ccc(CNc2cc(C)nc3ccccc32)cc1 ZINC000035206358 533705409 /nfs/dbraw/zinc/70/54/09/533705409.db2.gz ZJEIJUNUALLJDU-UHFFFAOYSA-N 0 3 278.355 4.164 40 0 CIABHN C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004368757 326811412 /nfs/dbraw/zinc/81/14/12/326811412.db2.gz PPULLACTYCCYOK-GCTVEYNFSA-N 0 3 295.426 4.095 40 0 CIABHN CC(C)Sc1ncccc1[C@H]1CCCN1C(C)C ZINC000072217540 567920374 /nfs/dbraw/zinc/92/03/74/567920374.db2.gz ITLOSWPSFIAXBT-CQSZACIVSA-N 0 3 264.438 4.127 40 0 CIABHN Cc1cc(C)c2c(c1)nccc2Nc1cccc(N)c1 ZINC000064875379 567110374 /nfs/dbraw/zinc/11/03/74/567110374.db2.gz HACFWZQFWKMBAU-UHFFFAOYSA-N 0 3 263.344 4.177 40 0 CIABHN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CN ZINC000019045782 567119160 /nfs/dbraw/zinc/11/91/60/567119160.db2.gz DKZKAWFSTLHFAM-UHFFFAOYSA-N 0 3 285.174 4.231 40 0 CIABHN CCN1CCC(=C(c2ccccc2)c2ccccc2)C1 ZINC000001482148 567837745 /nfs/dbraw/zinc/83/77/45/567837745.db2.gz BJUHVJHOJBHLJS-UHFFFAOYSA-N 0 3 263.384 4.214 40 0 in-man CIABHN CCCCCC[C@](CCN(C)C)(C(C)=O)c1ccccc1 ZINC000001593247 567838997 /nfs/dbraw/zinc/83/89/97/567838997.db2.gz IJAOSALRDLLKDL-IBGZPJMESA-N 0 3 289.463 4.436 40 0 CIABHN CCCC[C@@](O)(c1ccccc1)c1ccccc1CN(C)C ZINC000001713605 567842430 /nfs/dbraw/zinc/84/24/30/567842430.db2.gz SORQFNAWXRCGCG-HXUWFJFHSA-N 0 3 297.442 4.174 40 0 CIABHN Cc1ccc([C@H](N)c2cccc(C(F)(F)F)c2)cc1 ZINC000019968757 567880394 /nfs/dbraw/zinc/88/03/94/567880394.db2.gz CAIRZEHPIUVCQJ-AWEZNQCLSA-N 0 3 265.278 4.062 40 0 CIABHN COc1ccc(C2=C[C@@H](c3ccccc3)SC(=N)N2)cc1 ZINC000000033834 567901891 /nfs/dbraw/zinc/90/18/91/567901891.db2.gz AYITWDXVKBAWAO-INIZCTEOSA-N 0 3 296.395 4.049 40 0 CIABHN Cc1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072211315 567917602 /nfs/dbraw/zinc/91/76/02/567917602.db2.gz LXCCIPDKAWASAR-GOSISDBHSA-N 0 3 266.388 4.117 40 0 CIABHN CC(C)CN1CCCC[C@@H]1c1cccnc1OC(C)C ZINC000072211981 567918154 /nfs/dbraw/zinc/91/81/54/567918154.db2.gz MNGDQHLUIUDWTJ-MRXNPFEDSA-N 0 3 276.424 4.052 40 0 CIABHN CCCN1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212020 567918310 /nfs/dbraw/zinc/91/83/10/567918310.db2.gz HSHOMJRUZSEVSE-GOSISDBHSA-N 0 3 296.414 4.208 40 0 CIABHN CCCNc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072213123 567918395 /nfs/dbraw/zinc/91/83/95/567918395.db2.gz LXDPTKIROXUCKE-SFHVURJKSA-N 0 3 295.430 4.241 40 0 CIABHN CCNc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072213101 567918585 /nfs/dbraw/zinc/91/85/85/567918585.db2.gz KVCACPNRMFIJOG-GOSISDBHSA-N 0 3 295.430 4.241 40 0 CIABHN CCCCNc1ccc([C@H]2CCCCN2CCC)cn1 ZINC000072213677 567918831 /nfs/dbraw/zinc/91/88/31/567918831.db2.gz IFVRXLKGOFQHED-MRXNPFEDSA-N 0 3 275.440 4.231 40 0 CIABHN CCCN1CCCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213537 567918878 /nfs/dbraw/zinc/91/88/78/567918878.db2.gz CZNBCILXWIZPGJ-GOEBONIOSA-N 0 3 275.440 4.229 40 0 CIABHN CC(C)N1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213979 567918956 /nfs/dbraw/zinc/91/89/56/567918956.db2.gz VNAUPMAXMLUDKY-KRWDZBQOSA-N 0 3 287.451 4.372 40 0 CIABHN CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072213541 567918997 /nfs/dbraw/zinc/91/89/97/567918997.db2.gz VYSSJYMMUBITHO-GDBMZVCRSA-N 0 3 275.440 4.227 40 0 CIABHN CC[C@@H](C)Nc1ncccc1[C@H]1CCCCN1C(C)C ZINC000072213429 567919076 /nfs/dbraw/zinc/91/90/76/567919076.db2.gz XDNGZZLWWCNZMK-GDBMZVCRSA-N 0 3 275.440 4.227 40 0 CIABHN CCCCNc1ccc([C@@H]2CCCCN2CCC)cn1 ZINC000072213676 567919097 /nfs/dbraw/zinc/91/90/97/567919097.db2.gz IFVRXLKGOFQHED-INIZCTEOSA-N 0 3 275.440 4.231 40 0 CIABHN CC(C)CNc1ncccc1[C@H]1CCCCN1C(C)C ZINC000072213275 567919114 /nfs/dbraw/zinc/91/91/14/567919114.db2.gz HFNFZODUZLVOJX-MRXNPFEDSA-N 0 3 275.440 4.085 40 0 CIABHN c1cnc(SC2CCCCC2)c([C@H]2CCCCN2)c1 ZINC000072217314 567919547 /nfs/dbraw/zinc/91/95/47/567919547.db2.gz OWPPSJDQSKDEHA-OAHLLOKOSA-N 0 3 276.449 4.321 40 0 CIABHN CC(C)N1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214258 567919888 /nfs/dbraw/zinc/91/98/88/567919888.db2.gz MPPVZYWWPMVMLD-SFHVURJKSA-N 0 3 295.430 4.395 40 0 CIABHN CN(c1ccccc1)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072214213 567919985 /nfs/dbraw/zinc/91/99/85/567919985.db2.gz LIYBASCCRFPHME-KRWDZBQOSA-N 0 3 281.403 4.006 40 0 CIABHN CCN1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217593 567920274 /nfs/dbraw/zinc/92/02/74/567920274.db2.gz SMGPIPIDCBEKMP-INIZCTEOSA-N 0 3 284.428 4.390 40 0 CIABHN CC(C)N1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216701 567920479 /nfs/dbraw/zinc/92/04/79/567920479.db2.gz FSLPYNUPTDYUGR-QGZVFWFLSA-N 0 3 287.451 4.007 40 0 CIABHN Cc1cc([C@H]2CCCCN2Cc2ccccc2)c[nH]c1=S ZINC000072218287 567920889 /nfs/dbraw/zinc/92/08/89/567920889.db2.gz VXJPPCHELVJYCR-QGZVFWFLSA-N 0 3 298.455 4.406 40 0 CIABHN CCCCN1CCCC[C@H]1c1cccnc1SC ZINC000072216966 567921063 /nfs/dbraw/zinc/92/10/63/567921063.db2.gz RUEFCLJHZNJBLG-AWEZNQCLSA-N 0 3 264.438 4.131 40 0 CIABHN Cc1cc([C@@H]2CCCN2Cc2ccccc2)c[nH]c1=S ZINC000072218249 567921072 /nfs/dbraw/zinc/92/10/72/567921072.db2.gz RCCGEHJVOKVJCE-INIZCTEOSA-N 0 3 284.428 4.016 40 0 CIABHN CSc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072216931 567921108 /nfs/dbraw/zinc/92/11/08/567921108.db2.gz AECOYDDPEXOEGD-MRXNPFEDSA-N 0 3 284.428 4.141 40 0 CIABHN CCCCN1CCCC[C@H]1c1ccc(SC)nc1 ZINC000072216906 567921324 /nfs/dbraw/zinc/92/13/24/567921324.db2.gz NWGQQNIKQCZQPC-AWEZNQCLSA-N 0 3 264.438 4.131 40 0 CIABHN CCSc1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072217204 567921334 /nfs/dbraw/zinc/92/13/34/567921334.db2.gz KEXXQNNDVKZTPS-OAHLLOKOSA-N 0 3 278.465 4.377 40 0 CIABHN Clc1ccc(CNCc2ccc3[nH]ccc3c2)cc1 ZINC000015424175 567944074 /nfs/dbraw/zinc/94/40/74/567944074.db2.gz AVDWXIORHOWRMP-UHFFFAOYSA-N 0 3 270.763 4.111 40 0 CIABHN c1ccc(-c2[nH]c3ccccc3c2C2=NCCC2)cc1 ZINC000225621931 567954478 /nfs/dbraw/zinc/95/44/78/567954478.db2.gz HKKXKZSJHUZPCN-UHFFFAOYSA-N 0 3 260.340 4.418 40 0 CIABHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2ccoc2)CC1 ZINC000096052540 185074198 /nfs/dbraw/zinc/07/41/98/185074198.db2.gz PDWHNNJHOPWOIP-UHFFFAOYSA-N 0 3 281.399 4.068 40 0 CIABHN Cc1cnccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072219539 256707733 /nfs/dbraw/zinc/70/77/33/256707733.db2.gz WRUUONKMGNALDL-SFHVURJKSA-N 0 3 266.388 4.117 40 0 CIABHN CC[C@@]12C=CCN(C1)CCc1c3ccccc3[nH]c1/C=C\2 ZINC000006002484 170166973 /nfs/dbraw/zinc/16/69/73/170166973.db2.gz MSGYVJRBNLKUPF-POGDKVGISA-N 0 3 278.399 4.005 40 0 CIABHN COc1ccccc1CN(C)[C@H](C)Cc1ccc(C)cc1 ZINC000601032730 566996601 /nfs/dbraw/zinc/99/66/01/566996601.db2.gz OPOYXGQXRAORRI-MRXNPFEDSA-N 0 3 283.415 4.067 40 0 in-vitro CIABHN CN1CC[C@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000000000480 567816576 /nfs/dbraw/zinc/81/65/76/567816576.db2.gz HTMIBDQKFHUPSX-AWEZNQCLSA-N 0 3 296.439 4.241 40 0 world CIABHN CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 ZINC000000005862 567816583 /nfs/dbraw/zinc/81/65/83/567816583.db2.gz FOQRKFCLRMMKAT-UHFFFAOYSA-N 0 3 282.387 4.149 40 0 in-vitro CIABHN CN1CC[C@@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000000896683 567835067 /nfs/dbraw/zinc/83/50/67/567835067.db2.gz HTMIBDQKFHUPSX-CQSZACIVSA-N 0 3 296.439 4.241 40 0 world CIABHN CCC1(O)C[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1 ZINC000001582014 567838620 /nfs/dbraw/zinc/83/86/20/567838620.db2.gz IQHJPMRZLRSPJV-YOFSQIOKSA-N 0 3 295.426 4.336 40 0 CIABHN O=C(CCNCc1ccccc1)c1cccc2ccccc21 ZINC000001724402 567842495 /nfs/dbraw/zinc/84/24/95/567842495.db2.gz PSDZIQGZCPRMAQ-UHFFFAOYSA-N 0 3 289.378 4.202 40 0 CIABHN c1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NCc2ccccn2)cc1 ZINC000019373875 567878205 /nfs/dbraw/zinc/87/82/05/567878205.db2.gz BNRPPXMGVYRABI-ZRNYENFQSA-N 0 3 292.426 4.144 40 0 CIABHN Cc1ccncc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072211421 567917687 /nfs/dbraw/zinc/91/76/87/567917687.db2.gz NJYDLABZZSDAIH-SFHVURJKSA-N 0 3 266.388 4.117 40 0 CIABHN CCCCN1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000072211468 567917716 /nfs/dbraw/zinc/91/77/16/567917716.db2.gz NQMBOVPFONOINH-ZDUSSCGKSA-N 0 3 252.789 4.062 40 0 CIABHN CCCNc1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072213156 567917970 /nfs/dbraw/zinc/91/79/70/567917970.db2.gz FTMWAILMGPXYPS-INIZCTEOSA-N 0 3 275.440 4.087 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cccnc1NCCC ZINC000072213158 567918573 /nfs/dbraw/zinc/91/85/73/567918573.db2.gz UYZGDBCKWJBGJT-MRXNPFEDSA-N 0 3 275.440 4.231 40 0 CIABHN CCCN1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214020 567918755 /nfs/dbraw/zinc/91/87/55/567918755.db2.gz LEGBOQHAXNJJNU-KRWDZBQOSA-N 0 3 287.451 4.373 40 0 CIABHN CN(c1ccccc1)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072214212 567919842 /nfs/dbraw/zinc/91/98/42/567919842.db2.gz LIYBASCCRFPHME-QGZVFWFLSA-N 0 3 281.403 4.006 40 0 CIABHN CC(C)N1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216123 567920502 /nfs/dbraw/zinc/92/05/02/567920502.db2.gz LXQLABSPZRMEFM-KRWDZBQOSA-N 0 3 287.451 4.007 40 0 CIABHN CC(C)CN1CCC[C@H]1c1cccnc1SC(C)C ZINC000072217545 567920602 /nfs/dbraw/zinc/92/06/02/567920602.db2.gz FWNRCZVRIMEGJX-HNNXBMFYSA-N 0 3 278.465 4.375 40 0 CIABHN CCSc1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072217142 567921295 /nfs/dbraw/zinc/92/12/95/567921295.db2.gz AAEGRUHPTFIWNR-CQSZACIVSA-N 0 3 264.438 4.129 40 0 CIABHN c1csc([C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000072221661 567922170 /nfs/dbraw/zinc/92/21/70/567922170.db2.gz QVBMPRVVMIPUNQ-HNNXBMFYSA-N 0 3 257.402 4.475 40 0 CIABHN N[C@@H](c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000090587175 180009660 /nfs/dbraw/zinc/00/96/60/180009660.db2.gz HIAADRGSMSQTFX-FQEVSTJZSA-N 0 3 289.378 4.314 40 0 CIABHN Cc1nc(Nc2ccccc2)ccc1[C@H](N)c1ccccc1 ZINC000072224366 256705001 /nfs/dbraw/zinc/70/50/01/256705001.db2.gz FNRSONQNSSKJMZ-LJQANCHMSA-N 0 3 289.382 4.182 40 0 CIABHN COc1ccccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072221486 256706360 /nfs/dbraw/zinc/70/63/60/256706360.db2.gz BOGDFPZEQFFVQG-GOSISDBHSA-N 0 3 281.399 4.422 40 0 CIABHN COc1ccccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072221462 256706666 /nfs/dbraw/zinc/70/66/66/256706666.db2.gz PBJVVTVIRQMMAK-KRWDZBQOSA-N 0 3 267.372 4.032 40 0 CIABHN COc1ccc(C2=C[C@H](c3ccccc3)SC(=N)N2)cc1 ZINC000005916921 170155434 /nfs/dbraw/zinc/15/54/34/170155434.db2.gz AYITWDXVKBAWAO-MRXNPFEDSA-N 0 3 296.395 4.049 40 0 CIABHN Cc1cccc(OC[C@H](N)c2cccc3ccccc32)c1 ZINC000021008650 171285372 /nfs/dbraw/zinc/28/53/72/171285372.db2.gz POORJEFBOJKNTA-IBGZPJMESA-N 0 3 277.367 4.227 40 0 CIABHN CN1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357522 176376443 /nfs/dbraw/zinc/37/64/43/176376443.db2.gz KGAHVZZLMUUGDR-KRWDZBQOSA-N 0 3 286.806 4.093 40 0 CIABHN CC(C)Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000527734868 330278645 /nfs/dbraw/zinc/27/86/45/330278645.db2.gz VGHDMZMEYLSVKS-UHFFFAOYSA-N 0 3 293.414 4.051 40 0 CIABHN CC(C)Cc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000527734868 330278647 /nfs/dbraw/zinc/27/86/47/330278647.db2.gz VGHDMZMEYLSVKS-UHFFFAOYSA-N 0 3 293.414 4.051 40 0 CIABHN Cc1nc(Cl)ccc1[C@H]1CCCCN1CC(C)C ZINC000072217923 567920331 /nfs/dbraw/zinc/92/03/31/567920331.db2.gz RUPOSQHFZDVNDL-CQSZACIVSA-N 0 3 266.816 4.226 40 0 CIABHN Cc1ccc(OC[C@@H](N)c2cccc3ccccc32)cc1 ZINC000020008421 567126255 /nfs/dbraw/zinc/12/62/55/567126255.db2.gz CNBZPYDFBUOWMW-LJQANCHMSA-N 0 3 277.367 4.227 40 0 CIABHN CCC1(O)C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1 ZINC000001582015 567838690 /nfs/dbraw/zinc/83/86/90/567838690.db2.gz IQHJPMRZLRSPJV-OALUTQOASA-N 0 3 295.426 4.336 40 0 CIABHN c1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2ccccn2)cc1 ZINC000019373877 567878244 /nfs/dbraw/zinc/87/82/44/567878244.db2.gz BNRPPXMGVYRABI-YRPNKDGESA-N 0 3 292.426 4.144 40 0 CIABHN N[C@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000019842074 567879188 /nfs/dbraw/zinc/87/91/88/567879188.db2.gz XYZWYYKCNFRYHD-NSHDSACASA-N 0 3 258.173 4.103 40 0 CIABHN Cc1ccnc([C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000072211211 567917437 /nfs/dbraw/zinc/91/74/37/567917437.db2.gz WXJYBHIVMVBIPS-SFHVURJKSA-N 0 3 266.388 4.117 40 0 CIABHN Cc1ccncc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072211422 567917517 /nfs/dbraw/zinc/91/75/17/567917517.db2.gz NJYDLABZZSDAIH-GOSISDBHSA-N 0 3 266.388 4.117 40 0 CIABHN CC(C)N(c1ncccc1[C@@H]1CCCN1C(C)C)C(C)C ZINC000072213016 567918071 /nfs/dbraw/zinc/91/80/71/567918071.db2.gz OZDUASGTJAHWQZ-KRWDZBQOSA-N 0 3 289.467 4.250 40 0 CIABHN CCN1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213033 567918093 /nfs/dbraw/zinc/91/80/93/567918093.db2.gz FGAGBYAAZDWQCT-KRWDZBQOSA-N 0 3 289.467 4.252 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212920 567918120 /nfs/dbraw/zinc/91/81/20/567918120.db2.gz MIJDXJBCHQVLDY-QGZVFWFLSA-N 0 3 289.467 4.255 40 0 CIABHN CCNc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072213100 567918392 /nfs/dbraw/zinc/91/83/92/567918392.db2.gz KVCACPNRMFIJOG-SFHVURJKSA-N 0 3 295.430 4.241 40 0 CIABHN CC(C)CNc1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072213334 567918794 /nfs/dbraw/zinc/91/87/94/567918794.db2.gz QKEIIRWWIOOKPY-INIZCTEOSA-N 0 3 275.440 4.085 40 0 CIABHN CCCCNc1ncccc1[C@H]1CCCN1CCCC ZINC000072213604 567919005 /nfs/dbraw/zinc/91/90/05/567919005.db2.gz LUNILNGTAWINIV-MRXNPFEDSA-N 0 3 275.440 4.231 40 0 CIABHN CCCCN1CCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213259 567919015 /nfs/dbraw/zinc/91/90/15/567919015.db2.gz YZJJVSGGTBAZQL-MRXNPFEDSA-N 0 3 275.440 4.087 40 0 CIABHN CCCCN1CCC[C@H]1c1cccnc1NCC(C)C ZINC000072213260 567919073 /nfs/dbraw/zinc/91/90/73/567919073.db2.gz YZJJVSGGTBAZQL-INIZCTEOSA-N 0 3 275.440 4.087 40 0 CIABHN COc1cc(C)c([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072218042 567919891 /nfs/dbraw/zinc/91/98/91/567919891.db2.gz SCVJYUKNNFNYAM-SFHVURJKSA-N 0 3 296.414 4.126 40 0 CIABHN CCN1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216718 567920138 /nfs/dbraw/zinc/92/01/38/567920138.db2.gz AHVXIEUZGMEYNF-QGZVFWFLSA-N 0 3 287.451 4.009 40 0 CIABHN CCN1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216659 567920268 /nfs/dbraw/zinc/92/02/68/567920268.db2.gz FVBIINVIYBUHJR-KRWDZBQOSA-N 0 3 287.451 4.009 40 0 CIABHN CCCCN1CCC[C@H]1c1cccnc1SCC ZINC000072217187 567921308 /nfs/dbraw/zinc/92/13/08/567921308.db2.gz NJZXMVRRLXXSBY-AWEZNQCLSA-N 0 3 264.438 4.131 40 0 CIABHN Cc1[nH]c(=S)ccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072218406 567921837 /nfs/dbraw/zinc/92/18/37/567921837.db2.gz IIJBKSAZRZKKBM-KRWDZBQOSA-N 0 3 298.455 4.406 40 0 CIABHN Cc1cc([C@H](N)c2ccccc2)cnc1Nc1ccccc1 ZINC000072222285 567922060 /nfs/dbraw/zinc/92/20/60/567922060.db2.gz RWNMZUBTIRTPGP-GOSISDBHSA-N 0 3 289.382 4.182 40 0 CIABHN Cc1nc(Oc2ccccc2)ccc1[C@@H](N)c1ccccc1 ZINC000072224208 567922548 /nfs/dbraw/zinc/92/25/48/567922548.db2.gz RMBWYAYWOQQRLS-IBGZPJMESA-N 0 3 290.366 4.230 40 0 CIABHN Cc1ccc2ccccc2c1NC(=O)CNC1CCCCC1 ZINC000000411585 567930061 /nfs/dbraw/zinc/93/00/61/567930061.db2.gz UEQQXOGLXHJXGE-UHFFFAOYSA-N 0 3 296.414 4.009 40 0 CIABHN Cc1ccccc1CNCc1ccc(Br)cc1 ZINC000032146168 570310615 /nfs/dbraw/zinc/31/06/15/570310615.db2.gz KOMHUCOIPYMTTL-UHFFFAOYSA-N 0 3 290.204 4.047 40 0 CIABHN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccccc2)c1 ZINC000072221871 256705896 /nfs/dbraw/zinc/70/58/96/256705896.db2.gz JJJPOTZLSNZTPB-SFHVURJKSA-N 0 3 297.398 4.041 40 0 CIABHN ClC1=CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]2C1 ZINC000005648562 170124103 /nfs/dbraw/zinc/12/41/03/170124103.db2.gz BWKWEYCCHXBCAS-GYOIFBIXSA-N 0 3 298.817 4.230 40 0 CIABHN CCCCCC[C@@](CCN(C)C)(C(C)=O)c1ccccc1 ZINC000005973153 170164492 /nfs/dbraw/zinc/16/44/92/170164492.db2.gz IJAOSALRDLLKDL-LJQANCHMSA-N 0 3 289.463 4.436 40 0 CIABHN CCN(CC)C[C@@H](O)c1cc(Cl)cc(Cl)c1Cl ZINC000006382469 170196764 /nfs/dbraw/zinc/19/67/64/170196764.db2.gz RJFQHAKBDSHWTL-LLVKDONJSA-N 0 3 296.625 4.022 40 0 CIABHN Cc1cccc(OC[C@@H](N)c2cccc3ccccc32)c1 ZINC000021008649 171285423 /nfs/dbraw/zinc/28/54/23/171285423.db2.gz POORJEFBOJKNTA-LJQANCHMSA-N 0 3 277.367 4.227 40 0 CIABHN CN1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357519 176376466 /nfs/dbraw/zinc/37/64/66/176376466.db2.gz PZOUCXRZSVBLJC-QGZVFWFLSA-N 0 3 286.806 4.093 40 0 CIABHN C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004368765 326811520 /nfs/dbraw/zinc/81/15/20/326811520.db2.gz PPULLACTYCCYOK-OPMWNPIGSA-N 0 3 295.426 4.095 40 0 CIABHN CCCCN1CCC[C@@H]1c1cccnc1N[C@H](C)CC ZINC000108368504 567103944 /nfs/dbraw/zinc/10/39/44/567103944.db2.gz KEFNVNQXCGLYGE-GDBMZVCRSA-N 0 3 275.440 4.229 40 0 CIABHN Clc1ccc([C@H]2NCCc3ccccc32)cc1Cl ZINC000070209427 567115316 /nfs/dbraw/zinc/11/53/16/567115316.db2.gz UOWYFERBGSCIER-OAHLLOKOSA-N 0 3 278.182 4.229 40 0 CIABHN CCN(CC)C[C@H](O)c1cc(Cl)cc(Cl)c1Cl ZINC000001593662 567839073 /nfs/dbraw/zinc/83/90/73/567839073.db2.gz RJFQHAKBDSHWTL-NSHDSACASA-N 0 3 296.625 4.022 40 0 CIABHN CCCC[C@@H](CN1CCCCC1)C(=O)c1ccccc1 ZINC000001687269 567841380 /nfs/dbraw/zinc/84/13/80/567841380.db2.gz VTNMRUFCVUYBPZ-KRWDZBQOSA-N 0 3 273.420 4.162 40 0 CIABHN CCCCCC[C@H](C)NCC(=O)Nc1c(C)cccc1C ZINC000001684138 567841480 /nfs/dbraw/zinc/84/14/80/567841480.db2.gz FUPNNHAQSJTFJY-INIZCTEOSA-N 0 3 290.451 4.190 40 0 CIABHN CCN(CC)Cc1cccc(C)c1OC(=O)c1ccccc1 ZINC000001688825 567841846 /nfs/dbraw/zinc/84/18/46/567841846.db2.gz HOTGTTARNWRLKO-UHFFFAOYSA-N 0 3 297.398 4.056 40 0 CIABHN CC(=O)C[C@@H](c1ccccc1)c1ccccc1[C@H](C)N(C)C ZINC000017174573 567875150 /nfs/dbraw/zinc/87/51/50/567875150.db2.gz OJRSDRGLDWIRSG-JXFKEZNVSA-N 0 3 295.426 4.420 40 0 CIABHN C(\c1ccccc1)=C1/CNC/C(=C/c2ccccc2)C1 ZINC000017380113 567875478 /nfs/dbraw/zinc/87/54/78/567875478.db2.gz VJVSOFFOHNGRHQ-GDAWTGGTSA-N 0 3 261.368 4.147 40 0 CIABHN N[C@H](c1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000019841924 567879151 /nfs/dbraw/zinc/87/91/51/567879151.db2.gz YVWJOJKDDDJIEN-NSHDSACASA-N 0 3 258.173 4.103 40 0 CIABHN Clc1ccc(/N=c2/ccn3ccccc3c2)cc1Cl ZINC000103285831 567915639 /nfs/dbraw/zinc/91/56/39/567915639.db2.gz MTFYFZDTISVQRR-PDGQHHTCSA-N 0 3 289.165 4.479 40 0 CIABHN CCCCN1CCCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211923 567917661 /nfs/dbraw/zinc/91/76/61/567917661.db2.gz HFUQEFGUSGDLAN-MRXNPFEDSA-N 0 3 276.424 4.196 40 0 CIABHN CC(C)CN1CCCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211921 567917746 /nfs/dbraw/zinc/91/77/46/567917746.db2.gz GPXRREBGIKYADD-MRXNPFEDSA-N 0 3 276.424 4.052 40 0 CIABHN Cc1cccnc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072211157 567917859 /nfs/dbraw/zinc/91/78/59/567917859.db2.gz UFBXYVJMTVIDNN-KRWDZBQOSA-N 0 3 266.388 4.117 40 0 CIABHN CC(C)N1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212019 567918126 /nfs/dbraw/zinc/91/81/26/567918126.db2.gz XRRYPGFEBXTSIK-SFHVURJKSA-N 0 3 296.414 4.206 40 0 CIABHN CCCN1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213017 567918148 /nfs/dbraw/zinc/91/81/48/567918148.db2.gz NNFOUIWOPFPSCK-QGZVFWFLSA-N 0 3 289.467 4.252 40 0 CIABHN CCN1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212973 567918209 /nfs/dbraw/zinc/91/82/09/567918209.db2.gz FXRCDDJNEHOWND-KRWDZBQOSA-N 0 3 289.467 4.252 40 0 CIABHN CCN1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212190 567918486 /nfs/dbraw/zinc/91/84/86/567918486.db2.gz IHSCRMUSJRTYHN-MRXNPFEDSA-N 0 3 268.360 4.031 40 0 CIABHN CC(C)N(c1ncccc1[C@H]1CCCN1C(C)C)C(C)C ZINC000072213015 567918653 /nfs/dbraw/zinc/91/86/53/567918653.db2.gz OZDUASGTJAHWQZ-QGZVFWFLSA-N 0 3 289.467 4.250 40 0 CIABHN CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072213539 567918950 /nfs/dbraw/zinc/91/89/50/567918950.db2.gz VYSSJYMMUBITHO-ZBFHGGJFSA-N 0 3 275.440 4.227 40 0 CIABHN CC(C)CNc1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072213277 567918966 /nfs/dbraw/zinc/91/89/66/567918966.db2.gz DQESTAKVCUSYON-QGZVFWFLSA-N 0 3 289.467 4.333 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072216006 567920174 /nfs/dbraw/zinc/92/01/74/567920174.db2.gz NHMSDWSKTSUSMC-QGZVFWFLSA-N 0 3 287.451 4.009 40 0 CIABHN CC(C)N1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216122 567920499 /nfs/dbraw/zinc/92/04/99/567920499.db2.gz LXQLABSPZRMEFM-QGZVFWFLSA-N 0 3 287.451 4.007 40 0 CIABHN Cc1cc([C@@H]2CCCCN2CC(C)C)cnc1Cl ZINC000072217802 567920726 /nfs/dbraw/zinc/92/07/26/567920726.db2.gz MQOBRNQCYGZBCR-AWEZNQCLSA-N 0 3 266.816 4.226 40 0 CIABHN CCN1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217652 567920814 /nfs/dbraw/zinc/92/08/14/567920814.db2.gz BAFLNJKGULZFHF-MRXNPFEDSA-N 0 3 284.428 4.390 40 0 CIABHN CCN1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216719 567920892 /nfs/dbraw/zinc/92/08/92/567920892.db2.gz AHVXIEUZGMEYNF-KRWDZBQOSA-N 0 3 287.451 4.009 40 0 CIABHN CCCN1CCCC[C@H]1c1cccnc1SCC ZINC000072217200 567921031 /nfs/dbraw/zinc/92/10/31/567921031.db2.gz MKAOKWLLFAGYIS-AWEZNQCLSA-N 0 3 264.438 4.131 40 0 CIABHN Cc1[nH]c(=S)ccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072218407 567921936 /nfs/dbraw/zinc/92/19/36/567921936.db2.gz IIJBKSAZRZKKBM-QGZVFWFLSA-N 0 3 298.455 4.406 40 0 CIABHN Cc1cc(Nc2ccccc2)ncc1[C@H](N)c1ccccc1 ZINC000072223324 567922305 /nfs/dbraw/zinc/92/23/05/567922305.db2.gz ADWPTKFGVUYJDY-LJQANCHMSA-N 0 3 289.382 4.182 40 0 CIABHN Cc1nc(Nc2ccccc2)ccc1[C@@H](N)c1ccccc1 ZINC000072224367 567922746 /nfs/dbraw/zinc/92/27/46/567922746.db2.gz FNRSONQNSSKJMZ-IBGZPJMESA-N 0 3 289.382 4.182 40 0 CIABHN O=C(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000004299946 567938094 /nfs/dbraw/zinc/93/80/94/567938094.db2.gz CHFCUUGSOMFHED-UHFFFAOYSA-N 0 3 293.410 4.412 40 0 CIABHN Clc1ccc(CNCc2cccc3[nH]ccc32)cc1 ZINC000015423502 567943974 /nfs/dbraw/zinc/94/39/74/567943974.db2.gz GWHWOCQBKMWDJS-UHFFFAOYSA-N 0 3 270.763 4.111 40 0 CIABHN CC(C)(C)Sc1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225752 256703528 /nfs/dbraw/zinc/70/35/28/256703528.db2.gz FCBYMANJAYDLHQ-OAHLLOKOSA-N 0 3 272.417 4.020 40 0 CIABHN CCCCN1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072216007 256711816 /nfs/dbraw/zinc/71/18/16/256711816.db2.gz NHMSDWSKTSUSMC-KRWDZBQOSA-N 0 3 287.451 4.009 40 0 CIABHN CC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000004898909 170038132 /nfs/dbraw/zinc/03/81/32/170038132.db2.gz HLZZWYXFUPJRKG-VNTMZGSJSA-N 0 3 295.426 4.240 40 0 CIABHN c1ccc([C@@H]2SC3=NCCCN3Cc3ccccc32)cc1 ZINC000005640722 170123206 /nfs/dbraw/zinc/12/32/06/170123206.db2.gz LRAPXKZKQWVQCT-KRWDZBQOSA-N 0 3 294.423 4.085 40 0 CIABHN c1ccc(CO[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000006580219 170215152 /nfs/dbraw/zinc/21/51/52/170215152.db2.gz UKXKDNNCANFLIW-FQEVSTJZSA-N 0 3 295.426 4.430 40 0 CIABHN CC[C@@H](C)n1c2ccccc2nc1[C@H](N)CC(C)C ZINC000040163863 174196699 /nfs/dbraw/zinc/19/66/99/174196699.db2.gz RHKKHYGEYNKWKP-CHWSQXEVSA-N 0 3 259.397 4.053 40 0 CIABHN CCCN1CCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217482 567920675 /nfs/dbraw/zinc/92/06/75/567920675.db2.gz TYWYDMINGSSBEU-CQSZACIVSA-N 0 3 264.438 4.129 40 0 CIABHN CCC[C@H](C(=O)c1cccc2ccccc21)N1CCCC1 ZINC000035823448 566977236 /nfs/dbraw/zinc/97/72/36/566977236.db2.gz PDYIKONOBSBEMS-GOSISDBHSA-N 0 3 281.399 4.287 40 0 in-vitro CIABHN N=C1NC(c2ccccc2)=C[C@H](c2ccccc2)S1 ZINC000004408936 567019240 /nfs/dbraw/zinc/01/92/40/567019240.db2.gz DECPAAQMLGSSCC-OAHLLOKOSA-N 0 3 266.369 4.040 40 0 CIABHN COc1ccc2nc(C)cc(Nc3ccc(F)cc3)c2c1 ZINC000000304264 567824737 /nfs/dbraw/zinc/82/47/37/567824737.db2.gz DXCGHLSWEZHEIP-UHFFFAOYSA-N 0 3 282.318 4.435 40 0 CIABHN C[C@@H](c1ccco1)N(C)Cc1cccc2ncccc12 ZINC000019459644 567877826 /nfs/dbraw/zinc/87/78/26/567877826.db2.gz DOVXRGHDBAQQLF-ZDUSSCGKSA-N 0 3 266.344 4.021 40 0 CIABHN CCN1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212155 567918329 /nfs/dbraw/zinc/91/83/29/567918329.db2.gz VJGYTOGDAFOZAR-QGZVFWFLSA-N 0 3 282.387 4.421 40 0 CIABHN CC(C)N1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212079 567918360 /nfs/dbraw/zinc/91/83/60/567918360.db2.gz IZEBXRYBBDDRNI-SFHVURJKSA-N 0 3 296.414 4.206 40 0 CIABHN CC(C)N1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212139 567918413 /nfs/dbraw/zinc/91/84/13/567918413.db2.gz XICFXDKVDIWEQJ-KRWDZBQOSA-N 0 3 282.387 4.419 40 0 CIABHN CCCN1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212080 567918624 /nfs/dbraw/zinc/91/86/24/567918624.db2.gz UNLIHKPHSQPLAB-GOSISDBHSA-N 0 3 296.414 4.208 40 0 CIABHN CCCCNc1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072213679 567918813 /nfs/dbraw/zinc/91/88/13/567918813.db2.gz WWWOZXIEBMBIRP-MRXNPFEDSA-N 0 3 275.440 4.229 40 0 CIABHN CCCN1CCCC[C@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213538 567919272 /nfs/dbraw/zinc/91/92/72/567919272.db2.gz CZNBCILXWIZPGJ-HOCLYGCPSA-N 0 3 275.440 4.229 40 0 CIABHN CC[C@H](C)Nc1ncccc1[C@H]1CCCCN1C(C)C ZINC000072213430 567919335 /nfs/dbraw/zinc/91/93/35/567919335.db2.gz XDNGZZLWWCNZMK-GOEBONIOSA-N 0 3 275.440 4.227 40 0 CIABHN CCN1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214189 567919596 /nfs/dbraw/zinc/91/95/96/567919596.db2.gz YIRPIVPBPRSSLB-QGZVFWFLSA-N 0 3 281.403 4.006 40 0 CIABHN CCCN1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214139 567919691 /nfs/dbraw/zinc/91/96/91/567919691.db2.gz WGUVCXBIEFZINQ-QGZVFWFLSA-N 0 3 281.403 4.372 40 0 CIABHN CCN1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214034 567919918 /nfs/dbraw/zinc/91/99/18/567919918.db2.gz ZEQKWGGYHDFALS-QGZVFWFLSA-N 0 3 287.451 4.373 40 0 CIABHN CCN1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216658 567920430 /nfs/dbraw/zinc/92/04/30/567920430.db2.gz FVBIINVIYBUHJR-QGZVFWFLSA-N 0 3 287.451 4.009 40 0 CIABHN CCCCN1CCCC[C@H]1c1cnc(Cl)cc1C ZINC000072217865 567920566 /nfs/dbraw/zinc/92/05/66/567920566.db2.gz HGSADHNGLJJJNR-AWEZNQCLSA-N 0 3 266.816 4.371 40 0 CIABHN Cc1cc(=S)[nH]cc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072218347 567921214 /nfs/dbraw/zinc/92/12/14/567921214.db2.gz OAMTTXGCYQVMJY-QGZVFWFLSA-N 0 3 298.455 4.406 40 0 CIABHN CCSc1ccc([C@@H]2CCCCN2CC(C)C)cn1 ZINC000072217143 567921277 /nfs/dbraw/zinc/92/12/77/567921277.db2.gz FLSVRPJPWFVNPC-HNNXBMFYSA-N 0 3 278.465 4.377 40 0 CIABHN CCSc1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072217141 567921362 /nfs/dbraw/zinc/92/13/62/567921362.db2.gz AAEGRUHPTFIWNR-AWEZNQCLSA-N 0 3 264.438 4.129 40 0 CIABHN CCCN1CCCC[C@H]1c1ccc(SCC)nc1 ZINC000072217140 567921422 /nfs/dbraw/zinc/92/14/22/567921422.db2.gz YEBIMRSTZKJZLH-AWEZNQCLSA-N 0 3 264.438 4.131 40 0 CIABHN COc1ccccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072221463 567922125 /nfs/dbraw/zinc/92/21/25/567922125.db2.gz PBJVVTVIRQMMAK-QGZVFWFLSA-N 0 3 267.372 4.032 40 0 CIABHN CCCCN1CCCC[C@H]1c1c(OC)cccc1OC ZINC000072221443 567922416 /nfs/dbraw/zinc/92/24/16/567922416.db2.gz OSAIJRWAJJCLEH-AWEZNQCLSA-N 0 3 277.408 4.031 40 0 CIABHN Cc1nc(SC(C)(C)C)ccc1[C@H](N)c1ccccc1 ZINC000072224914 567922485 /nfs/dbraw/zinc/92/24/85/567922485.db2.gz 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4.451 40 0 CIABHN CC[C@H](C)n1c2ccccc2nc1[C@H](N)CC(C)C ZINC000040163864 174196956 /nfs/dbraw/zinc/19/69/56/174196956.db2.gz RHKKHYGEYNKWKP-QWHCGFSZSA-N 0 3 259.397 4.053 40 0 CIABHN Cc1ccc([C@@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000019806994 567122942 /nfs/dbraw/zinc/12/29/42/567122942.db2.gz LPUYXQTZGHIZCF-CQSZACIVSA-N 0 3 265.278 4.062 40 0 CIABHN Cc1ccc(OC[C@H](N)c2cccc3ccccc32)cc1 ZINC000020008424 567126302 /nfs/dbraw/zinc/12/63/02/567126302.db2.gz CNBZPYDFBUOWMW-IBGZPJMESA-N 0 3 277.367 4.227 40 0 CIABHN CCC[C@@H]1C[C@@H](N)c2ccccc2N1C(=O)OC(C)(C)C ZINC000242548065 567195233 /nfs/dbraw/zinc/19/52/33/567195233.db2.gz LBCDYEYYVRLZEA-TZMCWYRMSA-N 0 3 290.407 4.000 40 0 CIABHN CC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000001246932 567836688 /nfs/dbraw/zinc/83/66/88/567836688.db2.gz HLZZWYXFUPJRKG-IYWMVGAKSA-N 0 3 295.426 4.240 40 0 CIABHN c1ccc(CO[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000001707038 567841968 /nfs/dbraw/zinc/84/19/68/567841968.db2.gz UKXKDNNCANFLIW-HXUWFJFHSA-N 0 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CIABHN CCN1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212972 567918542 /nfs/dbraw/zinc/91/85/42/567918542.db2.gz FXRCDDJNEHOWND-QGZVFWFLSA-N 0 3 289.467 4.252 40 0 CIABHN CCCN1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213018 567918613 /nfs/dbraw/zinc/91/86/13/567918613.db2.gz NNFOUIWOPFPSCK-KRWDZBQOSA-N 0 3 289.467 4.252 40 0 CIABHN CC(C)CNc1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072213335 567918977 /nfs/dbraw/zinc/91/89/77/567918977.db2.gz QKEIIRWWIOOKPY-MRXNPFEDSA-N 0 3 275.440 4.085 40 0 CIABHN COc1cc(C)c([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072218043 567919677 /nfs/dbraw/zinc/91/96/77/567919677.db2.gz SCVJYUKNNFNYAM-GOSISDBHSA-N 0 3 296.414 4.126 40 0 CIABHN CCN1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217412 567919913 /nfs/dbraw/zinc/91/99/13/567919913.db2.gz WYICOIXTCZMPKL-CYBMUJFWSA-N 0 3 264.438 4.129 40 0 CIABHN c1cc(SC2CCCCC2)ncc1[C@@H]1CCCCN1 ZINC000072217253 567919923 /nfs/dbraw/zinc/91/99/23/567919923.db2.gz UORKNNKYDGMTAE-HNNXBMFYSA-N 0 3 276.449 4.321 40 0 CIABHN CC(C)Sc1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072217481 567920164 /nfs/dbraw/zinc/92/01/64/567920164.db2.gz ZGLUMENKHRFVLP-AWEZNQCLSA-N 0 3 264.438 4.127 40 0 CIABHN CCCN1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216120 567920280 /nfs/dbraw/zinc/92/02/80/567920280.db2.gz VLNKZLLKXMAPFM-QGZVFWFLSA-N 0 3 287.451 4.009 40 0 CIABHN Cc1cc(Cl)ncc1[C@@H]1CCCCN1CC(C)C ZINC000072217862 567920776 /nfs/dbraw/zinc/92/07/76/567920776.db2.gz FZWGSUBQUXYYNP-AWEZNQCLSA-N 0 3 266.816 4.226 40 0 CIABHN CCCN1CCCC[C@@H]1c1cccnc1SCC ZINC000072217199 567921135 /nfs/dbraw/zinc/92/11/35/567921135.db2.gz MKAOKWLLFAGYIS-CQSZACIVSA-N 0 3 264.438 4.131 40 0 CIABHN CCCCN1CCC[C@H]1c1ccc(SCC)nc1 ZINC000072217127 567921246 /nfs/dbraw/zinc/92/12/46/567921246.db2.gz LDAYKBOQTIPANG-AWEZNQCLSA-N 0 3 264.438 4.131 40 0 CIABHN CNc1cc(C)c([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072219066 567921533 /nfs/dbraw/zinc/92/15/33/567921533.db2.gz MKWPFDBVPAKCRL-SFHVURJKSA-N 0 3 295.430 4.159 40 0 CIABHN COc1ccc([C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000072221521 567922266 /nfs/dbraw/zinc/92/22/66/567922266.db2.gz PSDIJWASCCYKJY-IBGZPJMESA-N 0 3 281.399 4.422 40 0 CIABHN Fc1ccccc1-c1nc2cc(CN3CCCC3)ccc2o1 ZINC000216789919 570346143 /nfs/dbraw/zinc/34/61/43/570346143.db2.gz ZOIZXOGSKITLMC-UHFFFAOYSA-N 0 3 296.345 4.230 40 0 CIABHN c1ccc(CCCC2CCN(Cc3cccnc3)CC2)cc1 ZINC000008701074 570392517 /nfs/dbraw/zinc/39/25/17/570392517.db2.gz HAGJXFGCXCDPMO-UHFFFAOYSA-N 0 3 294.442 4.317 40 0 CIABHN N[C@@H](c1ccccc1)c1cccc(-c2ccccc2)c1 ZINC000090587170 180009292 /nfs/dbraw/zinc/00/92/92/180009292.db2.gz VEXBAFDHQBLMHV-IBGZPJMESA-N 0 3 259.352 4.402 40 0 CIABHN CCSc1ncccc1[C@H]1CCCCN1C(C)C ZINC000072217202 256709737 /nfs/dbraw/zinc/70/97/37/256709737.db2.gz UNRNMCMWRKCOMJ-CQSZACIVSA-N 0 3 264.438 4.129 40 0 CIABHN CCCCN1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216107 256712058 /nfs/dbraw/zinc/71/20/58/256712058.db2.gz KJZBDSAABOERGZ-QGZVFWFLSA-N 0 3 287.451 4.009 40 0 CIABHN COc1ccc2nc(C)cc(Nc3ccc(O)cc3C)c2c1 ZINC000005336908 170086931 /nfs/dbraw/zinc/08/69/31/170086931.db2.gz RYPMOSVKRUROOA-UHFFFAOYSA-N 0 3 294.354 4.309 40 0 CIABHN CC[n+]1c(/C=C/c2cccc([O-])c2)ccc2ccccc21 ZINC000006358905 170195128 /nfs/dbraw/zinc/19/51/28/170195128.db2.gz SRENETZSZVOVFT-ZRDIBKRKSA-O 0 3 276.359 4.023 40 0 CIABHN Cc1ccccc1NC1CCN(Cc2ccccc2)CC1 ZINC000006896037 170253976 /nfs/dbraw/zinc/25/39/76/170253976.db2.gz ZBJWFVHEYOLGAB-UHFFFAOYSA-N 0 3 280.415 4.072 40 0 CIABHN Cc1cc(NCc2cccs2)c2ccccc2n1 ZINC000035206393 172049790 /nfs/dbraw/zinc/04/97/90/172049790.db2.gz KXDIQIWLPUBZLY-UHFFFAOYSA-N 0 3 254.358 4.217 40 0 CIABHN CCCCN1CCC[C@@H]1c1ccc(SCC)nc1 ZINC000072217126 567890644 /nfs/dbraw/zinc/89/06/44/567890644.db2.gz LDAYKBOQTIPANG-CQSZACIVSA-N 0 3 264.438 4.131 40 0 CIABHN CCCCN1CCCC[C@@H]1c1ccc(SC)nc1 ZINC000072216905 567921300 /nfs/dbraw/zinc/92/13/00/567921300.db2.gz NWGQQNIKQCZQPC-CQSZACIVSA-N 0 3 264.438 4.131 40 0 CIABHN CCSc1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072217203 567921374 /nfs/dbraw/zinc/92/13/74/567921374.db2.gz KEXXQNNDVKZTPS-HNNXBMFYSA-N 0 3 278.465 4.377 40 0 CIABHN Cc1ccccc1OC[C@@H](N)c1cccc2ccccc21 ZINC000019987442 567126328 /nfs/dbraw/zinc/12/63/28/567126328.db2.gz HAAWRMQEWFAKRN-GOSISDBHSA-N 0 3 277.367 4.227 40 0 CIABHN CCN(CC)CCC(=O)c1ccc(Cl)c2ccccc12 ZINC000001628194 567839644 /nfs/dbraw/zinc/83/96/44/567839644.db2.gz SZXKBNFEHIPHCH-UHFFFAOYSA-N 0 3 289.806 4.408 40 0 CIABHN CCN(CC)CCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000001649607 567840008 /nfs/dbraw/zinc/84/00/08/567840008.db2.gz GQXJGDUDIGIQKS-UHFFFAOYSA-N 0 3 297.398 4.394 40 0 CIABHN CCN(CC)Cc1cc(C)ccc1OC(=O)c1ccccc1 ZINC000001688826 567841758 /nfs/dbraw/zinc/84/17/58/567841758.db2.gz OHLURFXIUHMULJ-UHFFFAOYSA-N 0 3 297.398 4.056 40 0 CIABHN CC(=O)C[C@@H](c1ccccc1)c1ccccc1[C@@H](C)N(C)C ZINC000017174572 567875352 /nfs/dbraw/zinc/87/53/52/567875352.db2.gz OJRSDRGLDWIRSG-UZLBHIALSA-N 0 3 295.426 4.420 40 0 CIABHN Cc1cccc([C@H]2CCCCN2Cc2ccccc2)n1 ZINC000072211104 567917429 /nfs/dbraw/zinc/91/74/29/567917429.db2.gz KYGVHXXECWHFDA-GOSISDBHSA-N 0 3 266.388 4.117 40 0 CIABHN Cc1cccc([C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000072211103 567917512 /nfs/dbraw/zinc/91/75/12/567917512.db2.gz KYGVHXXECWHFDA-SFHVURJKSA-N 0 3 266.388 4.117 40 0 CIABHN CCN1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212156 567918138 /nfs/dbraw/zinc/91/81/38/567918138.db2.gz VJGYTOGDAFOZAR-KRWDZBQOSA-N 0 3 282.387 4.421 40 0 CIABHN CCCN1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212201 567918326 /nfs/dbraw/zinc/91/83/26/567918326.db2.gz ZLWMRPBFVOQMDC-KRWDZBQOSA-N 0 3 282.387 4.421 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213278 567918883 /nfs/dbraw/zinc/91/88/83/567918883.db2.gz MUMDLXAJOHEZRA-QGZVFWFLSA-N 0 3 289.467 4.477 40 0 CIABHN CC(C)CN1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213921 567919045 /nfs/dbraw/zinc/91/90/45/567919045.db2.gz XLXXMYIELOVDLI-KRWDZBQOSA-N 0 3 287.451 4.229 40 0 CIABHN CC(C)CN1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213920 567919133 /nfs/dbraw/zinc/91/91/33/567919133.db2.gz XLXXMYIELOVDLI-QGZVFWFLSA-N 0 3 287.451 4.229 40 0 CIABHN CCN1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214275 567919518 /nfs/dbraw/zinc/91/95/18/567919518.db2.gz FVPVOARHOGYRLX-SFHVURJKSA-N 0 3 295.430 4.396 40 0 CIABHN CCCN1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214260 567919815 /nfs/dbraw/zinc/91/98/15/567919815.db2.gz NJRQKMAEYHGHND-SFHVURJKSA-N 0 3 295.430 4.396 40 0 CIABHN CCN1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217413 567919954 /nfs/dbraw/zinc/91/99/54/567919954.db2.gz WYICOIXTCZMPKL-ZDUSSCGKSA-N 0 3 264.438 4.129 40 0 CIABHN c1ccc(Sc2ncccc2[C@@H]2CCCCN2)cc1 ZINC000072217673 567920265 /nfs/dbraw/zinc/92/02/65/567920265.db2.gz XJAAEVGFKHWCEL-HNNXBMFYSA-N 0 3 270.401 4.047 40 0 CIABHN c1ccc(Sc2ccc([C@@H]3CCCCN3)cn2)cc1 ZINC000072217613 567920694 /nfs/dbraw/zinc/92/06/94/567920694.db2.gz KFZLRAMMDOWMAQ-HNNXBMFYSA-N 0 3 270.401 4.047 40 0 CIABHN S=c1ccc([C@@H]2CCCCN2Cc2ccccc2)c[nH]1 ZINC000072217028 567921148 /nfs/dbraw/zinc/92/11/48/567921148.db2.gz HBLQEZVCAIQIIW-INIZCTEOSA-N 0 3 284.428 4.098 40 0 CIABHN CSc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072216930 567921394 /nfs/dbraw/zinc/92/13/94/567921394.db2.gz AECOYDDPEXOEGD-INIZCTEOSA-N 0 3 284.428 4.141 40 0 CIABHN c1csc([C@H]2CCCCN2Cc2ccccc2)c1 ZINC000072221660 567922161 /nfs/dbraw/zinc/92/21/61/567922161.db2.gz QVBMPRVVMIPUNQ-OAHLLOKOSA-N 0 3 257.402 4.475 40 0 CIABHN COc1ccccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072221485 567922242 /nfs/dbraw/zinc/92/22/42/567922242.db2.gz BOGDFPZEQFFVQG-SFHVURJKSA-N 0 3 281.399 4.422 40 0 CIABHN CC(C)(C)Sc1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225753 567922678 /nfs/dbraw/zinc/92/26/78/567922678.db2.gz FCBYMANJAYDLHQ-HNNXBMFYSA-N 0 3 272.417 4.020 40 0 CIABHN CCc1cc2ccc(C)c(C)c2nc1SCCN(C)C ZINC000013483231 567941678 /nfs/dbraw/zinc/94/16/78/567941678.db2.gz IJSSIRRJHSRTNS-UHFFFAOYSA-N 0 3 288.460 4.068 40 0 CIABHN Cc1ccsc1CN1CCC[C@@H]1c1cccc2nccn21 ZINC000257254109 190020703 /nfs/dbraw/zinc/02/07/03/190020703.db2.gz KBQMPLXVMPPNHL-CQSZACIVSA-N 0 3 297.427 4.041 40 0 CIABHN Cc1nc(Oc2ccccc2)ccc1[C@H](N)c1ccccc1 ZINC000072224207 256704892 /nfs/dbraw/zinc/70/48/92/256704892.db2.gz RMBWYAYWOQQRLS-LJQANCHMSA-N 0 3 290.366 4.230 40 0 CIABHN CCN1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214094 256711404 /nfs/dbraw/zinc/71/14/04/256711404.db2.gz OVSZMZSCQHKXNY-QGZVFWFLSA-N 0 3 281.403 4.372 40 0 CIABHN COc1ccc(CNC/C=C/c2ccc(Cl)cc2)cc1 ZINC000007541295 533655707 /nfs/dbraw/zinc/65/57/07/533655707.db2.gz MXWIUTZCDXCMNX-NSCUHMNNSA-N 0 3 287.790 4.152 40 0 CIABHN CC(C)(C)N1C[C@H]([C@H](O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000005105216 170066745 /nfs/dbraw/zinc/06/67/45/170066745.db2.gz YDCYRILBEMTSIT-GBESFXJTSA-N 0 3 295.426 4.192 40 0 CIABHN CCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020158524 171040193 /nfs/dbraw/zinc/04/01/93/171040193.db2.gz NCMRXXXOQPRZDX-UHFFFAOYSA-N 0 3 270.159 4.363 40 0 CIABHN CN1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357520 176376031 /nfs/dbraw/zinc/37/60/31/176376031.db2.gz PZOUCXRZSVBLJC-KRWDZBQOSA-N 0 3 286.806 4.093 40 0 CIABHN CC(C)n1c2ccccc2nc1CN(C)C1CCCCC1 ZINC000076556428 177037888 /nfs/dbraw/zinc/03/78/88/177037888.db2.gz REDNBFGTECLWPH-UHFFFAOYSA-N 0 3 285.435 4.382 40 0 CIABHN CCCN1CCCC[C@@H]1c1ccc(SCC)nc1 ZINC000072217139 567921327 /nfs/dbraw/zinc/92/13/27/567921327.db2.gz YEBIMRSTZKJZLH-CQSZACIVSA-N 0 3 264.438 4.131 40 0 CIABHN CCC[C@@H](C(=O)c1cccc2ccccc21)N1CCCC1 ZINC000035823447 566977214 /nfs/dbraw/zinc/97/72/14/566977214.db2.gz PDYIKONOBSBEMS-SFHVURJKSA-N 0 3 281.399 4.287 40 0 in-vitro CIABHN CCCN1CCCC[C@@H]1c1cccnc1N[C@H](C)CC ZINC000108368527 567103611 /nfs/dbraw/zinc/10/36/11/567103611.db2.gz RFGGRYKJUZNIIN-GDBMZVCRSA-N 0 3 275.440 4.229 40 0 CIABHN CCCN1CCCC[C@H]1c1cccnc1N[C@H](C)CC ZINC000108368532 567104195 /nfs/dbraw/zinc/10/41/95/567104195.db2.gz RFGGRYKJUZNIIN-ZBFHGGJFSA-N 0 3 275.440 4.229 40 0 CIABHN CC(=O)[C@@](CCN(C)C)(c1ccccc1)C1CCCCC1 ZINC000001593574 567839022 /nfs/dbraw/zinc/83/90/22/567839022.db2.gz OZVIMGCKCYUQDB-IBGZPJMESA-N 0 3 287.447 4.045 40 0 CIABHN CCC[C@H](C(=O)OCCN1CCCC1(C)C)C1CCCC1 ZINC000001680701 567841508 /nfs/dbraw/zinc/84/15/08/567841508.db2.gz HXFJNSFVVSEVMC-INIZCTEOSA-N 0 3 295.467 4.011 40 0 CIABHN C[C@@H](c1ccccc1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000019366647 567877468 /nfs/dbraw/zinc/87/74/68/567877468.db2.gz FQNIOAVLCZLWON-ROUUACIJSA-N 0 3 294.442 4.126 40 0 in-vitro CIABHN C[C@H](c1ccco1)N(C)Cc1cccc2ncccc12 ZINC000019459642 567878032 /nfs/dbraw/zinc/87/80/32/567878032.db2.gz DOVXRGHDBAQQLF-CYBMUJFWSA-N 0 3 266.344 4.021 40 0 CIABHN N[C@@H](c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000019842114 567879032 /nfs/dbraw/zinc/87/90/32/567879032.db2.gz IPWBAFUNRJAARV-LLVKDONJSA-N 0 3 258.173 4.103 40 0 CIABHN CC[C@@]12C=CCN(C1)CCc1c3ccccc3[nH]c1/C=C\2 ZINC000031841393 567885244 /nfs/dbraw/zinc/88/52/44/567885244.db2.gz MSGYVJRBNLKUPF-BLRBJFNZSA-N 0 3 278.399 4.005 40 0 CIABHN Cc1cncc([C@H]2CCCCN2Cc2ccccc2)c1 ZINC000072211367 567917426 /nfs/dbraw/zinc/91/74/26/567917426.db2.gz VTGRMLATXXBCTQ-GOSISDBHSA-N 0 3 266.388 4.117 40 0 CIABHN CCCCN1CCCC[C@H]1c1cccnc1N(CC)CC ZINC000072212921 567918054 /nfs/dbraw/zinc/91/80/54/567918054.db2.gz MIJDXJBCHQVLDY-KRWDZBQOSA-N 0 3 289.467 4.255 40 0 CIABHN CCN1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212036 567918160 /nfs/dbraw/zinc/91/81/60/567918160.db2.gz MQVQFLNUOYKTIZ-SFHVURJKSA-N 0 3 296.414 4.208 40 0 CIABHN CCCCN1CCCC[C@H]1c1cccnc1NCCC ZINC000072213159 567918283 /nfs/dbraw/zinc/91/82/83/567918283.db2.gz UYZGDBCKWJBGJT-INIZCTEOSA-N 0 3 275.440 4.231 40 0 CIABHN CCCCNc1ncccc1[C@@H]1CCCCN1CCC ZINC000072213616 567919338 /nfs/dbraw/zinc/91/93/38/567919338.db2.gz JAYLNVGHIBCCFX-INIZCTEOSA-N 0 3 275.440 4.231 40 0 CIABHN CCN1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214095 567919721 /nfs/dbraw/zinc/91/97/21/567919721.db2.gz OVSZMZSCQHKXNY-KRWDZBQOSA-N 0 3 281.403 4.372 40 0 CIABHN CCN1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217353 567919822 /nfs/dbraw/zinc/91/98/22/567919822.db2.gz BDCHRZCUVIALPN-ZDUSSCGKSA-N 0 3 264.438 4.129 40 0 CIABHN CCN1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214249 567920077 /nfs/dbraw/zinc/92/00/77/567920077.db2.gz OMHYRQDHBZYPQT-QGZVFWFLSA-N 0 3 281.403 4.006 40 0 CIABHN c1ccc(Sc2ncccc2[C@H]2CCCCN2)cc1 ZINC000072217674 567920284 /nfs/dbraw/zinc/92/02/84/567920284.db2.gz XJAAEVGFKHWCEL-OAHLLOKOSA-N 0 3 270.401 4.047 40 0 CIABHN CCCN1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216704 567920796 /nfs/dbraw/zinc/92/07/96/567920796.db2.gz HJIAKZWWKKXNGK-KRWDZBQOSA-N 0 3 287.451 4.009 40 0 CIABHN CNc1ncc([C@H]2CCCCN2Cc2ccccc2)cc1C ZINC000072219007 567921480 /nfs/dbraw/zinc/92/14/80/567921480.db2.gz HNOWLWNOSXATHU-GOSISDBHSA-N 0 3 295.430 4.159 40 0 CIABHN COc1cccc(OC)c1[C@@H]1CCCN1Cc1ccccc1 ZINC000072221409 567921622 /nfs/dbraw/zinc/92/16/22/567921622.db2.gz CYYZASICFWQTOO-INIZCTEOSA-N 0 3 297.398 4.041 40 0 CIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1Oc1ccccc1 ZINC000072222129 567922030 /nfs/dbraw/zinc/92/20/30/567922030.db2.gz NJSMBGIDNHHXQG-SFHVURJKSA-N 0 3 290.366 4.230 40 0 CIABHN CCCN(CCC)c1ncc([C@@H](N)c2ccccc2)cc1C ZINC000072222259 567922070 /nfs/dbraw/zinc/92/20/70/567922070.db2.gz XMLWPZJFOCEEPE-SFHVURJKSA-N 0 3 297.446 4.065 40 0 CIABHN c1cc([C@H]2CCCCN2Cc2ccccc2)cs1 ZINC000072221700 567922352 /nfs/dbraw/zinc/92/23/52/567922352.db2.gz CYOUWRXQLIHQAZ-MRXNPFEDSA-N 0 3 257.402 4.475 40 0 CIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1Nc1ccccc1 ZINC000072222286 567922397 /nfs/dbraw/zinc/92/23/97/567922397.db2.gz RWNMZUBTIRTPGP-SFHVURJKSA-N 0 3 289.382 4.182 40 0 CIABHN Cc1cc(SC(C)(C)C)ncc1[C@H](N)c1ccccc1 ZINC000072223872 567922562 /nfs/dbraw/zinc/92/25/62/567922562.db2.gz OURJZGZVUCPSIX-MRXNPFEDSA-N 0 3 286.444 4.329 40 0 CIABHN c1ccc([C@@H]2N[C@H]3CCCC[C@H]3Nc3ccccc32)cc1 ZINC000255189597 570323219 /nfs/dbraw/zinc/32/32/19/570323219.db2.gz QYIKVXFZSNMBBZ-QYZOEREBSA-N 0 3 278.399 4.102 40 0 CIABHN Cc1ccc([C@H](N)c2ccc(Cl)cc2Cl)cc1 ZINC000019804212 570335340 /nfs/dbraw/zinc/33/53/40/570335340.db2.gz CEFQOHBALNYSIL-AWEZNQCLSA-N 0 3 266.171 4.350 40 0 CIABHN N[C@H](c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000090587171 180009383 /nfs/dbraw/zinc/00/93/83/180009383.db2.gz HIAADRGSMSQTFX-HXUWFJFHSA-N 0 3 289.378 4.314 40 0 CIABHN CCCN(CCC)c1cc(C)c([C@H](N)c2ccccc2)cn1 ZINC000072223297 256704859 /nfs/dbraw/zinc/70/48/59/256704859.db2.gz AARCASNACLAEFM-LJQANCHMSA-N 0 3 297.446 4.065 40 0 CIABHN CCCCN1CCCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217924 256708275 /nfs/dbraw/zinc/70/82/75/256708275.db2.gz JWZAATCXMVEBKG-CQSZACIVSA-N 0 3 266.816 4.371 40 0 CIABHN CCN1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214154 256711389 /nfs/dbraw/zinc/71/13/89/256711389.db2.gz KQATWIICTQTCPO-QGZVFWFLSA-N 0 3 281.403 4.372 40 0 CIABHN CN1Cc2ccccc2C1(c1ccccc1)c1ccccc1 ZINC000005082129 170064852 /nfs/dbraw/zinc/06/48/52/170064852.db2.gz KCHYSZLVOBCLHT-UHFFFAOYSA-N 0 3 285.390 4.424 40 0 CIABHN CCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020158554 171039785 /nfs/dbraw/zinc/03/97/85/171039785.db2.gz PTHAAOWEOQADJD-UHFFFAOYSA-N 0 3 270.159 4.363 40 0 CIABHN CN1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072348562 176373915 /nfs/dbraw/zinc/37/39/15/176373915.db2.gz ZEOQZMRBSALOFV-CQSZACIVSA-N 0 3 286.806 4.211 40 0 CIABHN CN1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357521 176376056 /nfs/dbraw/zinc/37/60/56/176376056.db2.gz KGAHVZZLMUUGDR-QGZVFWFLSA-N 0 3 286.806 4.093 40 0 CIABHN CCC[C@@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C ZINC000242548064 567194479 /nfs/dbraw/zinc/19/44/79/567194479.db2.gz LBCDYEYYVRLZEA-OCCSQVGLSA-N 0 3 290.407 4.000 40 0 CIABHN CC[C@]12C=CCN(C1)CCc1c3ccccc3[nH]c1/C=C\2 ZINC000031841396 567885325 /nfs/dbraw/zinc/88/53/25/567885325.db2.gz MSGYVJRBNLKUPF-UFUQCMIWSA-N 0 3 278.399 4.005 40 0 CIABHN CC(C)[C@H](N)c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000096509787 567897441 /nfs/dbraw/zinc/89/74/41/567897441.db2.gz YCWDCLHLZSSMOL-HNNXBMFYSA-N 0 3 288.391 4.080 40 0 CIABHN CCCN1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212081 567918352 /nfs/dbraw/zinc/91/83/52/567918352.db2.gz UNLIHKPHSQPLAB-SFHVURJKSA-N 0 3 296.414 4.208 40 0 CIABHN CCN(CC)c1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072212918 567918610 /nfs/dbraw/zinc/91/86/10/567918610.db2.gz YYFGENYZKFURPR-KRWDZBQOSA-N 0 3 289.467 4.111 40 0 CIABHN CCN1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212191 567918627 /nfs/dbraw/zinc/91/86/27/567918627.db2.gz IHSCRMUSJRTYHN-INIZCTEOSA-N 0 3 268.360 4.031 40 0 CIABHN CC[C@H](C)Nc1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072213434 567918992 /nfs/dbraw/zinc/91/89/92/567918992.db2.gz XOAVLONQJKSDTM-DOTOQJQBSA-N 0 3 289.467 4.475 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213922 567919146 /nfs/dbraw/zinc/91/91/46/567919146.db2.gz QHBDYZZMZLIGRG-QGZVFWFLSA-N 0 3 287.451 4.373 40 0 CIABHN CCCN1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213976 567919293 /nfs/dbraw/zinc/91/92/93/567919293.db2.gz ILINSSSWJKBTEJ-QGZVFWFLSA-N 0 3 287.451 4.373 40 0 CIABHN CC(C)N1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214017 567919352 /nfs/dbraw/zinc/91/93/52/567919352.db2.gz SREZSWRECUTNQX-QGZVFWFLSA-N 0 3 287.451 4.372 40 0 CIABHN CCN1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214214 567919929 /nfs/dbraw/zinc/91/99/29/567919929.db2.gz PHJZIAMBCPVQSW-GOSISDBHSA-N 0 3 295.430 4.396 40 0 CIABHN CC(C)N1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216062 567920467 /nfs/dbraw/zinc/92/04/67/567920467.db2.gz NJGGEYZVZGKKKW-QGZVFWFLSA-N 0 3 287.451 4.007 40 0 CIABHN CC(C)N1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216063 567920550 /nfs/dbraw/zinc/92/05/50/567920550.db2.gz NJGGEYZVZGKKKW-KRWDZBQOSA-N 0 3 287.451 4.007 40 0 CIABHN Cc1cc([C@H]2CCCCN2CC(C)C)cnc1Cl ZINC000072217803 567920650 /nfs/dbraw/zinc/92/06/50/567920650.db2.gz MQOBRNQCYGZBCR-CQSZACIVSA-N 0 3 266.816 4.226 40 0 CIABHN COc1cccc(OC)c1[C@H]1CCCN1Cc1ccccc1 ZINC000072221410 567921652 /nfs/dbraw/zinc/92/16/52/567921652.db2.gz CYYZASICFWQTOO-MRXNPFEDSA-N 0 3 297.398 4.041 40 0 CIABHN Cc1cc(SC(C)(C)C)ncc1[C@@H](N)c1ccccc1 ZINC000072223873 567922594 /nfs/dbraw/zinc/92/25/94/567922594.db2.gz OURJZGZVUCPSIX-INIZCTEOSA-N 0 3 286.444 4.329 40 0 CIABHN Cc1nc(SC(C)(C)C)ccc1[C@@H](N)c1ccccc1 ZINC000072224915 567922817 /nfs/dbraw/zinc/92/28/17/567922817.db2.gz SRTSHBSZGUYULV-INIZCTEOSA-N 0 3 286.444 4.329 40 0 CIABHN C[C@@H]1CCCN(c2c3ccccc3nc3c2CCCC3)C1 ZINC000005022732 570267702 /nfs/dbraw/zinc/26/77/02/570267702.db2.gz MXJGARSROPGHIM-CQSZACIVSA-N 0 3 280.415 4.350 40 0 CIABHN c1ccc([C@@H]2N[C@@H]3CCCC[C@H]3Nc3ccccc32)cc1 ZINC000255189596 570323297 /nfs/dbraw/zinc/32/32/97/570323297.db2.gz QYIKVXFZSNMBBZ-QRVBRYPASA-N 0 3 278.399 4.102 40 0 CIABHN c1ccc(-c2nc3cc(CN4CCCCC4)ccc3o2)cc1 ZINC000216788631 570346111 /nfs/dbraw/zinc/34/61/11/570346111.db2.gz IGSRHPPCZCVAGF-UHFFFAOYSA-N 0 3 292.382 4.481 40 0 CIABHN N[C@H](c1ccccc1)c1cccc(-c2ccccc2)c1 ZINC000090587169 180009623 /nfs/dbraw/zinc/00/96/23/180009623.db2.gz VEXBAFDHQBLMHV-LJQANCHMSA-N 0 3 259.352 4.402 40 0 CIABHN Cc1cc(Nc2ccccc2)ncc1[C@@H](N)c1ccccc1 ZINC000072223325 256704918 /nfs/dbraw/zinc/70/49/18/256704918.db2.gz ADWPTKFGVUYJDY-IBGZPJMESA-N 0 3 289.382 4.182 40 0 CIABHN CN(C)[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2N ZINC000004975124 170047803 /nfs/dbraw/zinc/04/78/03/170047803.db2.gz GYVXPIQTGVJMHH-HNNXBMFYSA-N 0 3 293.197 4.207 40 0 CIABHN Cc1cccc(NC2CCN(Cc3ccccc3)CC2)c1 ZINC000019877061 170905539 /nfs/dbraw/zinc/90/55/39/170905539.db2.gz SXKIHDACNICWFE-UHFFFAOYSA-N 0 3 280.415 4.072 40 0 CIABHN Cc1cccc(CNCc2ccc(Br)cc2)c1 ZINC000020133835 171022260 /nfs/dbraw/zinc/02/22/60/171022260.db2.gz JDSTZTHANWWCHH-UHFFFAOYSA-N 0 3 290.204 4.047 40 0 CIABHN CC[C@H](C)n1c2ccccc2nc1[C@@H](N)CC(C)C ZINC000040163866 174196719 /nfs/dbraw/zinc/19/67/19/174196719.db2.gz RHKKHYGEYNKWKP-STQMWFEESA-N 0 3 259.397 4.053 40 0 CIABHN CC[C@@H](C)n1c2ccccc2nc1[C@@H](N)CC(C)C ZINC000040163865 174196753 /nfs/dbraw/zinc/19/67/53/174196753.db2.gz RHKKHYGEYNKWKP-OLZOCXBDSA-N 0 3 259.397 4.053 40 0 CIABHN CN1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072348561 176373890 /nfs/dbraw/zinc/37/38/90/176373890.db2.gz ZEOQZMRBSALOFV-AWEZNQCLSA-N 0 3 286.806 4.211 40 0 CIABHN CCCN(CCC)Cn1c2ccccc2oc1=S ZINC000000058382 567073607 /nfs/dbraw/zinc/07/36/07/567073607.db2.gz FLRKLNJHRNGJNJ-UHFFFAOYSA-N 0 3 264.394 4.043 40 0 CIABHN CCCN1CCCC[C@@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368667 567103304 /nfs/dbraw/zinc/10/33/04/567103304.db2.gz CZNBCILXWIZPGJ-GDBMZVCRSA-N 0 3 275.440 4.229 40 0 CIABHN Cc1ccccc1OC[C@H](N)c1cccc2ccccc21 ZINC000019987446 567126488 /nfs/dbraw/zinc/12/64/88/567126488.db2.gz HAAWRMQEWFAKRN-SFHVURJKSA-N 0 3 277.367 4.227 40 0 CIABHN c1ccc([C@H]2SC3=NCCCN3Cc3ccccc32)cc1 ZINC000001568871 567838096 /nfs/dbraw/zinc/83/80/96/567838096.db2.gz LRAPXKZKQWVQCT-QGZVFWFLSA-N 0 3 294.423 4.085 40 0 CIABHN O=C(CCN1CCCCCC1)c1csc2ccccc12 ZINC000001701088 567842145 /nfs/dbraw/zinc/84/21/45/567842145.db2.gz JOCRIZIJTPVTIN-UHFFFAOYSA-N 0 3 287.428 4.350 40 0 CIABHN Cc1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1 ZINC000012236382 567862506 /nfs/dbraw/zinc/86/25/06/567862506.db2.gz KJJWCNXTZJHTRO-GOSISDBHSA-N 0 3 291.398 4.208 40 0 CIABHN Cc1cc([C@H]2CCCCCN2Cc2cccs2)on1 ZINC000012337043 567862654 /nfs/dbraw/zinc/86/26/54/567862654.db2.gz RLOUDGRFQDOSIA-CQSZACIVSA-N 0 3 276.405 4.162 40 0 CIABHN Cc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072211262 567917525 /nfs/dbraw/zinc/91/75/25/567917525.db2.gz VHLUWTBKMZIZCC-SFHVURJKSA-N 0 3 266.388 4.117 40 0 CIABHN CCCNc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213183 567918256 /nfs/dbraw/zinc/91/82/56/567918256.db2.gz SNEZCSNHHJPNNR-SFHVURJKSA-N 0 3 295.430 4.241 40 0 CIABHN CCCNc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072213124 567918515 /nfs/dbraw/zinc/91/85/15/567918515.db2.gz LXDPTKIROXUCKE-GOSISDBHSA-N 0 3 295.430 4.241 40 0 CIABHN CCCN1CCCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213272 567918869 /nfs/dbraw/zinc/91/88/69/567918869.db2.gz XTHYGXQYBYZOSC-MRXNPFEDSA-N 0 3 275.440 4.087 40 0 CIABHN CCCN1CCCC[C@@H]1c1cccnc1N[C@@H](C)CC ZINC000072213425 567918930 /nfs/dbraw/zinc/91/89/30/567918930.db2.gz RFGGRYKJUZNIIN-GOEBONIOSA-N 0 3 275.440 4.229 40 0 CIABHN CCCCNc1ncccc1[C@@H]1CCCN1CCCC ZINC000072213603 567919018 /nfs/dbraw/zinc/91/90/18/567919018.db2.gz LUNILNGTAWINIV-INIZCTEOSA-N 0 3 275.440 4.231 40 0 CIABHN CCCCN1CCC[C@@H]1c1cccnc1N[C@@H](C)CC 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/nfs/dbraw/zinc/92/06/08/567920608.db2.gz HJIAKZWWKKXNGK-QGZVFWFLSA-N 0 3 287.451 4.009 40 0 CIABHN CCSc1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072217201 567921085 /nfs/dbraw/zinc/92/10/85/567921085.db2.gz UNRNMCMWRKCOMJ-AWEZNQCLSA-N 0 3 264.438 4.129 40 0 CIABHN Cc1cc([C@@H]2CCCCN2Cc2ccccc2)ccn1 ZINC000072219483 567921870 /nfs/dbraw/zinc/92/18/70/567921870.db2.gz OBXPRMCIOGQGPA-SFHVURJKSA-N 0 3 266.388 4.117 40 0 CIABHN Cc1cc([C@H](N)c2ccccc2)cnc1SC(C)(C)C ZINC000072222828 567922151 /nfs/dbraw/zinc/92/21/51/567922151.db2.gz JPGAZOLPMGWKOC-OAHLLOKOSA-N 0 3 286.444 4.329 40 0 CIABHN CCCCN1CCCC[C@@H]1c1c(OC)cccc1OC ZINC000072221442 567922086 /nfs/dbraw/zinc/92/20/86/567922086.db2.gz OSAIJRWAJJCLEH-CQSZACIVSA-N 0 3 277.408 4.031 40 0 CIABHN Clc1ccc(/N=c2\ccn3ccccc3c2)cc1Cl ZINC000017121692 567934731 /nfs/dbraw/zinc/93/47/31/567934731.db2.gz MTFYFZDTISVQRR-LDADJPATSA-N 0 3 289.165 4.479 40 0 CIABHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2ccco2)CC1 ZINC000096052538 185075122 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/nfs/dbraw/zinc/27/40/42/170274042.db2.gz KTQHSNOTINTUIV-CQSZACIVSA-N 0 3 287.403 4.280 40 0 CIABHN CC(C)c1[nH]c2ncccc2c1CN(C)Cc1ccccc1 ZINC000072393351 176394531 /nfs/dbraw/zinc/39/45/31/176394531.db2.gz IZBSMXRQBIWNMZ-UHFFFAOYSA-N 0 3 293.414 4.318 40 0 CIABHN CCC[C@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C ZINC000242548063 567194257 /nfs/dbraw/zinc/19/42/57/567194257.db2.gz LBCDYEYYVRLZEA-JSGCOSHPSA-N 0 3 290.407 4.000 40 0 CIABHN CC(C)(C)N1C[C@@H]([C@H](O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000001754580 567843252 /nfs/dbraw/zinc/84/32/52/567843252.db2.gz YDCYRILBEMTSIT-CEXWTWQISA-N 0 3 295.426 4.192 40 0 CIABHN C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004368790 567857077 /nfs/dbraw/zinc/85/70/77/567857077.db2.gz PPULLACTYCCYOK-LNMJFAINSA-N 0 3 295.426 4.095 40 0 CIABHN CCN(CC)CC1=CCC2(CCCCC2)N=C1SC ZINC000019593816 567878042 /nfs/dbraw/zinc/87/80/42/567878042.db2.gz FLOJECTUHMTUEI-UHFFFAOYSA-N 0 3 280.481 4.123 40 0 CIABHN Cc1ccc([C@@H](N)c2cccc(C(F)(F)F)c2)cc1 ZINC000019968756 567880578 /nfs/dbraw/zinc/88/05/78/567880578.db2.gz CAIRZEHPIUVCQJ-CQSZACIVSA-N 0 3 265.278 4.062 40 0 CIABHN C[C@H](c1ccccc1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000022910898 567881417 /nfs/dbraw/zinc/88/14/17/567881417.db2.gz FQNIOAVLCZLWON-HDICACEKSA-N 0 3 294.442 4.126 40 0 in-vitro CIABHN C[C@@H](N[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1 ZINC000094820319 567908995 /nfs/dbraw/zinc/90/89/95/567908995.db2.gz JFBUPTFKLMWNFJ-NWDGAFQWSA-N 0 3 261.315 4.377 40 0 CIABHN CC(C)N1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212018 567918078 /nfs/dbraw/zinc/91/80/78/567918078.db2.gz XRRYPGFEBXTSIK-GOSISDBHSA-N 0 3 296.414 4.206 40 0 CIABHN CCCN1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212141 567918200 /nfs/dbraw/zinc/91/82/00/567918200.db2.gz WDXWWAITGXGHMT-KRWDZBQOSA-N 0 3 282.387 4.421 40 0 CIABHN CC(C)CN1CCCC[C@H]1c1cccnc1OC(C)C ZINC000072211982 567918366 /nfs/dbraw/zinc/91/83/66/567918366.db2.gz MNGDQHLUIUDWTJ-INIZCTEOSA-N 0 3 276.424 4.052 40 0 CIABHN CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072213540 567918769 /nfs/dbraw/zinc/91/87/69/567918769.db2.gz VYSSJYMMUBITHO-HOCLYGCPSA-N 0 3 275.440 4.227 40 0 CIABHN CCCN1CCCC[C@@H]1c1ccc(NCC(C)C)nc1 ZINC000072213332 567919085 /nfs/dbraw/zinc/91/90/85/567919085.db2.gz KACARWZIGIOAHG-MRXNPFEDSA-N 0 3 275.440 4.087 40 0 CIABHN CCCCN1CCCC[C@H]1c1cccnc1NCC(C)C ZINC000072213279 567919247 /nfs/dbraw/zinc/91/92/47/567919247.db2.gz MUMDLXAJOHEZRA-KRWDZBQOSA-N 0 3 289.467 4.477 40 0 CIABHN CCCN1CCCC[C@H]1c1ccc(NCC(C)C)nc1 ZINC000072213333 567919303 /nfs/dbraw/zinc/91/93/03/567919303.db2.gz KACARWZIGIOAHG-INIZCTEOSA-N 0 3 275.440 4.087 40 0 CIABHN CC[C@H](C)Nc1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072213428 567919313 /nfs/dbraw/zinc/91/93/13/567919313.db2.gz XDNGZZLWWCNZMK-HOCLYGCPSA-N 0 3 275.440 4.227 40 0 CIABHN c1cnc(SC2CCCCC2)c([C@@H]2CCCCN2)c1 ZINC000072217313 567919611 /nfs/dbraw/zinc/91/96/11/567919611.db2.gz OWPPSJDQSKDEHA-HNNXBMFYSA-N 0 3 276.449 4.321 40 0 CIABHN CC(C)CN1CCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217484 567920240 /nfs/dbraw/zinc/92/02/40/567920240.db2.gz WGQAZXZYYLSNJB-OAHLLOKOSA-N 0 3 278.465 4.375 40 0 CIABHN CCCN1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216061 567920271 /nfs/dbraw/zinc/92/02/71/567920271.db2.gz QZBHPMNXAYUCET-KRWDZBQOSA-N 0 3 287.451 4.009 40 0 CIABHN c1ccc(Sc2ccc([C@H]3CCCCN3)cn2)cc1 ZINC000072217614 567920293 /nfs/dbraw/zinc/92/02/93/567920293.db2.gz KFZLRAMMDOWMAQ-OAHLLOKOSA-N 0 3 270.401 4.047 40 0 CIABHN COc1ncc([C@H]2CCCCN2Cc2ccccc2)cc1C ZINC000072217748 567920508 /nfs/dbraw/zinc/92/05/08/567920508.db2.gz SSTLERMLLGQQQM-GOSISDBHSA-N 0 3 296.414 4.126 40 0 CIABHN CCCCN1CCCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217805 567920521 /nfs/dbraw/zinc/92/05/21/567920521.db2.gz INXQZNRRCULEEA-AWEZNQCLSA-N 0 3 266.816 4.371 40 0 CIABHN CCCCN1CCCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217804 567920524 /nfs/dbraw/zinc/92/05/24/567920524.db2.gz INXQZNRRCULEEA-CQSZACIVSA-N 0 3 266.816 4.371 40 0 CIABHN CCN1CCC[C@H]1c1cccnc1Sc1ccccc1 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C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004368779 567945931 /nfs/dbraw/zinc/94/59/31/567945931.db2.gz PPULLACTYCCYOK-AIVWAMIVSA-N 0 3 295.426 4.095 40 0 CIABHN CCN(CC)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003153537 570262794 /nfs/dbraw/zinc/26/27/94/570262794.db2.gz RZUNNSSCMREJEY-UHFFFAOYSA-N 0 3 281.399 4.268 40 0 CIABHN