smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C\Cc1c(O)cc(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000000600484 291085239 /nfs/dbraw/zinc/08/52/39/291085239.db2.gz JSPPDMSCDGJJOM-YDMRWXCBSA-N 0 1 372.505 5.129 40 0 biogenic,in-vitro FKABMN CCN(CCO)Cc1c(Cl)c(-c2ccccc2)oc1-c1ccccc1 ZINC000001592054 210361658 /nfs/dbraw/zinc/36/16/58/210361658.db2.gz WGXAWTJJQFNVIJ-UHFFFAOYSA-N 0 1 355.865 5.081 40 0 FKABMN c1ccc2sc(SCN(C3CCCCC3)C3CCCCC3)nc2c1 ZINC000001666225 210365505 /nfs/dbraw/zinc/36/55/05/210365505.db2.gz WSADMJNRWCWRJT-UHFFFAOYSA-N 0 1 360.592 6.313 40 0 in-vitro FKABMN CCN(CC)c1ccc(N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000001666865 570503952 /nfs/dbraw/zinc/50/39/52/570503952.db2.gz OEDDKYYTZPXGJB-BJKOFHAPSA-N 0 1 360.501 5.420 40 0 FKABMN CCN(CC)c1ccc(N[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000001666866 210365344 /nfs/dbraw/zinc/36/53/44/210365344.db2.gz OEDDKYYTZPXGJB-DNQXCXABSA-N 0 1 360.501 5.420 40 0 FKABMN CCN(CC)c1ccc(N[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000001666867 570504148 /nfs/dbraw/zinc/50/41/48/570504148.db2.gz OEDDKYYTZPXGJB-ZEQRLZLVSA-N 0 1 360.501 5.420 40 0 FKABMN CCN(CC)c1ccc(N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000001666868 570503958 /nfs/dbraw/zinc/50/39/58/570503958.db2.gz OEDDKYYTZPXGJB-RPWUZVMVSA-N 0 1 360.501 5.420 40 0 FKABMN Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(C=O)c2O)c1O ZINC000001679825 570504591 /nfs/dbraw/zinc/50/45/91/570504591.db2.gz IPEUTWIZNUODQD-UHFFFAOYSA-N 0 1 354.490 5.405 40 0 FKABMN Cc1cc(O)c(Sc2c(O)cc(C)cc2C(C)(C)C)c(C(C)(C)C)c1 ZINC000001689739 210365792 /nfs/dbraw/zinc/36/57/92/210365792.db2.gz YBRGWVCIRXVYCO-UHFFFAOYSA-N 0 1 358.547 6.461 40 0 FKABMN Clc1ccc(OCCCCSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000001926948 210374961 /nfs/dbraw/zinc/37/49/61/210374961.db2.gz GXEYPIIJCDMTQT-UHFFFAOYSA-N 0 1 367.301 5.821 40 0 FKABMN O=P(N=c1ccc(Cl)c[nH]1)(Oc1ccccc1)Oc1ccccc1 ZINC000002022044 210376238 /nfs/dbraw/zinc/37/62/38/210376238.db2.gz YWLXMOJGVSVCEI-UHFFFAOYSA-N 0 1 360.737 5.413 40 0 FKABMN Cc1ccc(N[C@@H](c2c[nH]c3ccccc32)[P@@]2(=O)O[C@H](C)[C@H](C)O2)cc1 ZINC000003877391 204113242 /nfs/dbraw/zinc/11/32/42/204113242.db2.gz SUJTZZWELBPEGF-OGDPSESOSA-N 0 1 370.389 5.604 40 0 FKABMN Cc1ccc(N[C@H](c2c[nH]c3ccccc32)[P@@]2(=O)O[C@H](C)[C@H](C)O2)cc1 ZINC000003877392 204113555 /nfs/dbraw/zinc/11/35/55/204113555.db2.gz SUJTZZWELBPEGF-YTFZMETMSA-N 0 1 370.389 5.604 40 0 FKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](N)(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000004070761 570893357 /nfs/dbraw/zinc/89/33/57/570893357.db2.gz KAASKSVTHCKDCH-URUNWYKUSA-N 0 1 373.518 6.008 40 0 FKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](N)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000004070762 207000440 /nfs/dbraw/zinc/00/04/40/207000440.db2.gz KAASKSVTHCKDCH-JKQFGOOQSA-N 0 1 373.518 6.008 40 0 FKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](N)(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000004070763 570893045 /nfs/dbraw/zinc/89/30/45/570893045.db2.gz KAASKSVTHCKDCH-AOVAMUDZSA-N 0 1 373.518 6.008 40 0 FKABMN COc1ccccc1-c1n[nH]c(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000004751441 570605278 /nfs/dbraw/zinc/60/52/78/570605278.db2.gz ZTMIPZFETNZGRE-UHFFFAOYSA-N 0 1 353.491 5.070 40 0 FKABMN CCO[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896290 204172708 /nfs/dbraw/zinc/17/27/08/204172708.db2.gz CPLHRXMRMDSXNE-JWQCQUIFSA-N 0 1 373.496 5.150 40 0 FKABMN CCO[C@@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896291 570612370 /nfs/dbraw/zinc/61/23/70/570612370.db2.gz CPLHRXMRMDSXNE-RPBOFIJWSA-N 0 1 373.496 5.150 40 0 FKABMN c1ccc([C@H]2C3=C(c4ccccc4CC3)N3CCO[C@]34CCCC[C@@H]24)cc1 ZINC000004899206 204173213 /nfs/dbraw/zinc/17/32/13/204173213.db2.gz CKZZOIDHUAISOG-LSQMVHIFSA-N 0 1 357.497 5.360 40 0 FKABMN c1ccc([C@H]2C3=C(c4ccccc4CC3)N3CCO[C@]34CCCC[C@H]24)cc1 ZINC000004899208 204173721 /nfs/dbraw/zinc/17/37/21/204173721.db2.gz CKZZOIDHUAISOG-CUYJMHBOSA-N 0 1 357.497 5.360 40 0 FKABMN Cc1ccc2ccccc2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000004903235 206186063 /nfs/dbraw/zinc/18/60/63/206186063.db2.gz LQMBIHLHLZTQQO-UHFFFAOYSA-N 0 1 372.512 5.041 40 0 FKABMN CCc1ccc(-c2nc(-c3cc4ccc(O)cc4oc3=O)sc2C)cc1 ZINC000004996466 570674650 /nfs/dbraw/zinc/67/46/50/570674650.db2.gz PBEAWGGTBCCKCR-UHFFFAOYSA-N 0 1 363.438 5.160 40 0 FKABMN CCN(CC)c1ccc(N[C@@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000005479662 570628292 /nfs/dbraw/zinc/62/82/92/570628292.db2.gz ARVBGCIWRJWUQE-DQEYMECFSA-N 0 1 374.528 5.810 40 0 FKABMN CCN(CC)c1ccc(N[C@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000005479663 570628260 /nfs/dbraw/zinc/62/82/60/570628260.db2.gz ARVBGCIWRJWUQE-RPBOFIJWSA-N 0 1 374.528 5.810 40 0 FKABMN CCN(CC)c1ccc(N[C@@H](C[C@@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000005479664 204211216 /nfs/dbraw/zinc/21/12/16/204211216.db2.gz ARVBGCIWRJWUQE-LOSJGSFVSA-N 0 1 374.528 5.810 40 0 FKABMN CCN(CC)c1ccc(N[C@H](C[C@@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000005479665 204210666 /nfs/dbraw/zinc/21/06/66/204210666.db2.gz ARVBGCIWRJWUQE-JWQCQUIFSA-N 0 1 374.528 5.810 40 0 FKABMN CCCCCCSC(=S)NC1c2ccccc2Oc2ccccc21 ZINC000005524073 207103450 /nfs/dbraw/zinc/10/34/50/207103450.db2.gz LNWQWSTZGXVQTB-UHFFFAOYSA-N 0 1 357.544 6.070 40 0 FKABMN CNC(=S)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000005566436 207107062 /nfs/dbraw/zinc/10/70/62/207107062.db2.gz CUYWDTWVIMXGQV-UHFFFAOYSA-N 0 1 355.526 5.550 40 0 FKABMN Cc1ccc2nc(SCC(=O)c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000005612502 209506079 /nfs/dbraw/zinc/50/60/79/209506079.db2.gz SPGXCRKSZTZXES-UHFFFAOYSA-N 0 1 351.258 5.153 40 0 FKABMN O=C(CCCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000006092801 571151100 /nfs/dbraw/zinc/15/11/00/571151100.db2.gz ZNOLNAPJKOYTHY-UHFFFAOYSA-N 0 1 357.856 5.231 40 0 world FKABMN Cc1ccc(-c2n[nH]c(SCc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000006148470 570778694 /nfs/dbraw/zinc/77/86/94/570778694.db2.gz QWEHDYXGMNNLSY-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN Cc1ccc(-c2n[nH]c(SCc3c(Cl)cccc3Cl)n2)cc1 ZINC000006148478 570778948 /nfs/dbraw/zinc/77/89/48/570778948.db2.gz VQIKLSDCIKHPHX-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN CCCCCN(CCCCC)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000006203455 570643267 /nfs/dbraw/zinc/64/32/67/570643267.db2.gz SOZHRVNSGBVVPJ-KNKQGSTJSA-N 0 1 351.575 5.427 40 0 FKABMN CCCCCN(CCCCC)CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000006203457 570643287 /nfs/dbraw/zinc/64/32/87/570643287.db2.gz SOZHRVNSGBVVPJ-DXIQSLLYSA-N 0 1 351.575 5.427 40 0 FKABMN Cc1cccc(-c2n[nH]c(SCc3ccc(Cl)cc3Cl)n2)c1 ZINC000006207386 204240761 /nfs/dbraw/zinc/24/07/61/204240761.db2.gz XUKBFTXHXNMTEI-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN Cc1ccc(-c2n[nH]c(SCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000006300867 570645013 /nfs/dbraw/zinc/64/50/13/570645013.db2.gz SOLCESIQXWVGOY-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(Cl)cc2)n1 ZINC000006464090 263344987 /nfs/dbraw/zinc/34/49/87/263344987.db2.gz LPVWKXDNHBGUNR-UHFFFAOYSA-N 0 1 366.273 5.079 40 0 FKABMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccccc2Cl)n1 ZINC000006464113 571296490 /nfs/dbraw/zinc/29/64/90/571296490.db2.gz BKWHWIIRGGJOSQ-UHFFFAOYSA-N 0 1 366.273 5.079 40 0 FKABMN Clc1ccc(-c2n[nH]c(SCc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000006495460 570561586 /nfs/dbraw/zinc/56/15/86/570561586.db2.gz ZUHRDKZQSJBVGA-UHFFFAOYSA-N 0 1 370.692 5.724 40 0 FKABMN C[C@@H]1CC2C[C@@H](C)CC(c3cc(Br)c(O)c(C=O)c3)(C2)C1 ZINC000006794877 570654398 /nfs/dbraw/zinc/65/43/98/570654398.db2.gz AGMSQKWELKKRGR-BKEHEOSSSA-N 0 1 351.284 5.071 40 0 FKABMN C[C@H]1CC2C[C@H](C)CC(c3cc(Br)c(O)c(C=O)c3)(C2)C1 ZINC000006795627 570654483 /nfs/dbraw/zinc/65/44/83/570654483.db2.gz AGMSQKWELKKRGR-IWKNMOJESA-N 0 1 351.284 5.071 40 0 FKABMN FC(F)(F)c1ccc(NN=Cc2cccc(Oc3ccccc3)c2)nc1 ZINC000006867076 571297356 /nfs/dbraw/zinc/29/73/56/571297356.db2.gz JNWRZVNZHXXBHU-WYMPLXKRSA-N 0 1 357.335 5.339 40 0 FKABMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1cccs1 ZINC000008472389 263355021 /nfs/dbraw/zinc/35/50/21/263355021.db2.gz OVZSPOYQFWVDSX-UHFFFAOYSA-N 0 1 373.905 5.279 40 0 FKABMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccc2ccccc21 ZINC000008553932 570683282 /nfs/dbraw/zinc/68/32/82/570683282.db2.gz LPQCTSHCWXDLJT-UHFFFAOYSA-N 0 1 367.861 5.100 40 0 FKABMN CCCCOc1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1 ZINC000008572569 570683233 /nfs/dbraw/zinc/68/32/33/570683233.db2.gz BFRNSVUAAFYQNO-UHFFFAOYSA-N 0 1 364.489 5.060 40 0 FKABMN CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063232 571302536 /nfs/dbraw/zinc/30/25/36/571302536.db2.gz TXEZELUTILJBSF-UHFFFAOYSA-N 0 1 370.924 5.062 40 0 FKABMN CC(C)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063274 570797062 /nfs/dbraw/zinc/79/70/62/570797062.db2.gz BESPTEQFIDAQEJ-UHFFFAOYSA-N 0 1 370.924 5.314 40 0 FKABMN Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000009063413 571302548 /nfs/dbraw/zinc/30/25/48/571302548.db2.gz MKEUSCRECSTELL-UHFFFAOYSA-N 0 1 370.924 5.116 40 0 FKABMN Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000009063527 571302551 /nfs/dbraw/zinc/30/25/51/571302551.db2.gz WYHDOVYNOFTRLV-UHFFFAOYSA-N 0 1 368.496 5.108 40 0 FKABMN CCCCc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000009063531 571302748 /nfs/dbraw/zinc/30/27/48/571302748.db2.gz JIKJQRUUJAIYPU-UHFFFAOYSA-N 0 1 368.496 5.019 40 0 FKABMN Clc1ccc(CSc2nc(-c3ccccc3Cl)n[nH]2)c(Cl)c1 ZINC000009197944 204358502 /nfs/dbraw/zinc/35/85/02/204358502.db2.gz XLQVIZQCHBJQOU-UHFFFAOYSA-N 0 1 370.692 5.724 40 0 FKABMN Clc1ccc(CSc2nc(-c3ccccc3Cl)n[nH]2)cc1Cl ZINC000009197951 204358165 /nfs/dbraw/zinc/35/81/65/204358165.db2.gz WXONDWKFPYDTSO-UHFFFAOYSA-N 0 1 370.692 5.724 40 0 FKABMN Clc1ccccc1-c1n[nH]c(SCc2cccc3ccccc32)n1 ZINC000009197992 207261125 /nfs/dbraw/zinc/26/11/25/207261125.db2.gz QSNFGPUUEPTFQS-UHFFFAOYSA-N 0 1 351.862 5.571 40 0 FKABMN Clc1ccccc1-c1n[nH]c(SCc2c(Cl)cccc2Cl)n1 ZINC000009198397 204357753 /nfs/dbraw/zinc/35/77/53/204357753.db2.gz RUZWIEKDHKKGGP-UHFFFAOYSA-N 0 1 370.692 5.724 40 0 FKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCc3ccccc3Cl)n2)cc1 ZINC000009199335 570692754 /nfs/dbraw/zinc/69/27/54/570692754.db2.gz ZFRRIHKTUBQODC-UHFFFAOYSA-N 0 1 357.910 5.715 40 0 FKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCc3ccc(Cl)cc3)n2)cc1 ZINC000009199343 570692748 /nfs/dbraw/zinc/69/27/48/570692748.db2.gz YTHCFBKNIVGJAN-UHFFFAOYSA-N 0 1 357.910 5.715 40 0 FKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCc3cccc4ccccc43)n2)cc1 ZINC000009199380 570692740 /nfs/dbraw/zinc/69/27/40/570692740.db2.gz VKTQIKGMHQHMSW-UHFFFAOYSA-N 0 1 373.525 6.215 40 0 FKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000009199647 570692662 /nfs/dbraw/zinc/69/26/62/570692662.db2.gz CHQHSYIVVDCHPP-UHFFFAOYSA-N 0 1 357.910 5.715 40 0 FKABMN COc1ccccc1-c1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000010475486 571303333 /nfs/dbraw/zinc/30/33/33/571303333.db2.gz KAENQMINALEPSA-UHFFFAOYSA-N 0 1 366.273 5.079 40 0 FKABMN COc1ccccc1-c1n[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000010475487 571303307 /nfs/dbraw/zinc/30/33/07/571303307.db2.gz NFPIPKZFOWNCNU-UHFFFAOYSA-N 0 1 366.273 5.079 40 0 FKABMN COc1ccccc1-c1n[nH]c(SCc2c(Cl)cccc2Cl)n1 ZINC000010475537 571303310 /nfs/dbraw/zinc/30/33/10/571303310.db2.gz JJCJZSQKDPECJC-UHFFFAOYSA-N 0 1 366.273 5.079 40 0 FKABMN COc1ccccc1C1(NCc2cnc(-c3ccccc3C)nc2)CCCC1 ZINC000012328552 570737368 /nfs/dbraw/zinc/73/73/68/570737368.db2.gz RHSMJWDAEATWFV-UHFFFAOYSA-N 0 1 373.500 5.020 40 0 FKABMN FC(F)(F)c1ccccc1CN1CCC(c2cc3ncccc3cn2)CC1 ZINC000012337483 570737708 /nfs/dbraw/zinc/73/77/08/570737708.db2.gz JWOPLSHWIACQEK-UHFFFAOYSA-N 0 1 371.406 5.028 40 0 FKABMN Cc1ccc(OP(=O)(Nc2ccccn2)Oc2ccc(C)cc2)cc1 ZINC000012561125 570751003 /nfs/dbraw/zinc/75/10/03/570751003.db2.gz YGWSCKOJKGLVRO-UHFFFAOYSA-N 0 1 354.346 5.376 40 0 FKABMN Clc1ccc(CSc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000013219483 570824601 /nfs/dbraw/zinc/82/46/01/570824601.db2.gz XYFKWHBSFVHXNQ-UHFFFAOYSA-N 0 1 353.672 5.271 40 0 FKABMN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)c(C=O)c1O ZINC000013368468 220065566 /nfs/dbraw/zinc/06/55/66/220065566.db2.gz QAPOXOGEDXIOHD-VZRGJMDUSA-N 0 1 356.506 6.180 40 0 biogenic,in-vitro FKABMN COc1ccc(CN(Cc2ccncc2)Cc2cccc3ccccc32)cc1 ZINC000013570230 220074922 /nfs/dbraw/zinc/07/49/22/220074922.db2.gz VWMIUTYEUQYYDE-UHFFFAOYSA-N 0 1 368.480 5.446 40 0 FKABMN CCCc1ccc(CN(Cc2ccncc2)Cc2ccc(OC)cc2)s1 ZINC000013570252 220075185 /nfs/dbraw/zinc/07/51/85/220075185.db2.gz XWPDRRDGZABYTF-UHFFFAOYSA-N 0 1 366.530 5.307 40 0 FKABMN FC(F)(F)c1ccc(CN(Cc2ccccc2)Cc2ccncc2)cc1 ZINC000013989218 220099577 /nfs/dbraw/zinc/09/95/77/220099577.db2.gz NNLNQGLUUFLYKI-UHFFFAOYSA-N 0 1 356.391 5.303 40 0 FKABMN Cc1ccc(CN(Cc2ccncc2)Cc2cccc3cccnc32)cc1 ZINC000013989290 220100344 /nfs/dbraw/zinc/10/03/44/220100344.db2.gz QXLMRGUOUBHUPP-UHFFFAOYSA-N 0 1 353.469 5.141 40 0 FKABMN Cc1ccc(CN(Cc2ccncc2)Cc2ccccc2N2CCCC2)cc1 ZINC000013989402 570499063 /nfs/dbraw/zinc/49/90/63/570499063.db2.gz JYKTZMIQGROQSS-UHFFFAOYSA-N 0 1 371.528 5.193 40 0 FKABMN COc1ccc(C2(NCc3nc4ccccc4n3C(C)C)CCCC2)cc1 ZINC000013998183 206307157 /nfs/dbraw/zinc/30/71/57/206307157.db2.gz HHBDUFNHZOBSIB-UHFFFAOYSA-N 0 1 363.505 5.185 40 0 FKABMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 ZINC000014257158 570845418 /nfs/dbraw/zinc/84/54/18/570845418.db2.gz KTLLHONFTZQHST-UHFFFAOYSA-N 0 1 367.470 5.205 40 0 FKABMN CC(C)CCC[C@@H](C)CC[N@H+](CC[C@@H](C)CCCC(C)C)CC(=O)[O-] ZINC000017303032 570871625 /nfs/dbraw/zinc/87/16/25/570871625.db2.gz GDMLLXZOASVDBX-OYRHEFFESA-N 0 1 355.607 6.078 40 0 FKABMN Cc1cc(-c2cn[nH]c2[C@H]2CCCCN2Cc2ccc(C(C)C)cc2)on1 ZINC000019120902 220237275 /nfs/dbraw/zinc/23/72/75/220237275.db2.gz IOFOJJBCDASHQU-HXUWFJFHSA-N 0 1 364.493 5.224 40 0 FKABMN Cc1cc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2ccc(C(C)C)cc2)on1 ZINC000019120904 211203217 /nfs/dbraw/zinc/20/32/17/211203217.db2.gz IOFOJJBCDASHQU-FQEVSTJZSA-N 0 1 364.493 5.224 40 0 FKABMN Cc1ccc(CN(Cc2c[nH]nc2-c2cccs2)Cc2ccncc2)cc1 ZINC000019210154 570882013 /nfs/dbraw/zinc/88/20/13/570882013.db2.gz IBCKQWKXNOKJKD-UHFFFAOYSA-N 0 1 374.513 5.044 40 0 FKABMN Cc1ccc(-c2nnc(C3CCN(Cc4ccc(Cl)cc4)CC3)o2)s1 ZINC000019217838 211205832 /nfs/dbraw/zinc/20/58/32/211205832.db2.gz JGCRDZNRHKXHGV-UHFFFAOYSA-N 0 1 373.909 5.140 40 0 FKABMN Cc1ccc(-c2nnc(C3CCN(Cc4ccccc4Cl)CC3)o2)s1 ZINC000019217860 570882285 /nfs/dbraw/zinc/88/22/85/570882285.db2.gz CSKLGBVAEYNFOV-UHFFFAOYSA-N 0 1 373.909 5.140 40 0 FKABMN Cc1ccccc1-c1ncc(CNC2(c3ccccc3F)CCCC2)cn1 ZINC000019237564 211208408 /nfs/dbraw/zinc/20/84/08/211208408.db2.gz RGPRNSFJQBHZGD-UHFFFAOYSA-N 0 1 361.464 5.150 40 0 FKABMN Cc1ccsc1-c1nnc(C2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000019238723 570883501 /nfs/dbraw/zinc/88/35/01/570883501.db2.gz ZHJRAUVSPPCGEH-UHFFFAOYSA-N 0 1 373.909 5.140 40 0 FKABMN Cc1ccsc1-c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1 ZINC000019238730 211210378 /nfs/dbraw/zinc/21/03/78/211210378.db2.gz WSBNVJNCDKIMMV-UHFFFAOYSA-N 0 1 373.909 5.140 40 0 FKABMN Cc1csc([C@@H](Cc2cccs2)NCc2cccc3ncccc23)n1 ZINC000019240099 220243733 /nfs/dbraw/zinc/24/37/33/220243733.db2.gz LHUJGGVAIZDBLI-LJQANCHMSA-N 0 1 365.527 5.135 40 0 FKABMN Cc1csc([C@H](Cc2cccs2)NCc2cccc3ncccc23)n1 ZINC000019240101 211211619 /nfs/dbraw/zinc/21/16/19/211211619.db2.gz LHUJGGVAIZDBLI-IBGZPJMESA-N 0 1 365.527 5.135 40 0 FKABMN CCCC[C@H](CC)CN1CN2CN(C[C@@H](CC)CCCC)CC2(C)C1 ZINC000019319125 220249694 /nfs/dbraw/zinc/24/96/94/220249694.db2.gz MSJBLPVXRJMJSY-SFTDATJTSA-N 0 1 351.623 5.026 40 0 in-man FKABMN Clc1ccc(CN2CCCN(C3CCCCC3)[C@@H]2[C@@H]2CCC=CO2)cc1 ZINC000019319512 570885762 /nfs/dbraw/zinc/88/57/62/570885762.db2.gz DGYSLUPPRRWWLE-FCHUYYIVSA-N 0 1 374.956 5.199 40 0 FKABMN CCCC[C@@H](CC)CN1CN2CN(C[C@H](CC)CCCC)CC2(C)C1 ZINC000019324115 211213853 /nfs/dbraw/zinc/21/38/53/211213853.db2.gz MSJBLPVXRJMJSY-NHCUHLMSSA-N 0 1 351.623 5.026 40 0 in-man FKABMN CC(C)c1ccc(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000019366420 570888099 /nfs/dbraw/zinc/88/80/99/570888099.db2.gz VLOMAWCYFDMKSV-UHFFFAOYSA-N 0 1 350.550 5.251 40 0 FKABMN Cc1ncc(CN2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)s1 ZINC000019691913 570898935 /nfs/dbraw/zinc/89/89/35/570898935.db2.gz NMZIGZFUBGNBIU-QFIPXVFZSA-N 0 1 363.530 5.083 40 0 FKABMN Cc1ncc(CN2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)s1 ZINC000019691914 220285496 /nfs/dbraw/zinc/28/54/96/220285496.db2.gz NMZIGZFUBGNBIU-JOCHJYFZSA-N 0 1 363.530 5.083 40 0 FKABMN FC(F)(F)c1ccc(Cl)c(-c2ccc(CNCc3cccnc3)o2)c1 ZINC000020158471 527683125 /nfs/dbraw/zinc/68/31/25/527683125.db2.gz UETKOASCMWENOJ-UHFFFAOYSA-N 0 1 366.770 5.304 40 0 FKABMN FC(F)(F)c1ccc(Cl)c(-c2ccc(CNCc3ccccc3)o2)c1 ZINC000020158571 527682987 /nfs/dbraw/zinc/68/29/87/527682987.db2.gz BTQZGVMXWMLTHV-UHFFFAOYSA-N 0 1 365.782 5.909 40 0 FKABMN Cc1ccccc1CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000020195554 525185879 /nfs/dbraw/zinc/18/58/79/525185879.db2.gz VGCNYEVIWINPSG-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN Cc1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000020195556 570913483 /nfs/dbraw/zinc/91/34/83/570913483.db2.gz YCQARULYKSYUMM-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN Clc1cccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 ZINC000020195584 526977793 /nfs/dbraw/zinc/97/77/93/526977793.db2.gz JJBHFSBKIXDJGH-UHFFFAOYSA-N 0 1 370.692 5.724 40 0 FKABMN Cc1ccccc1-c1n[nH]c(SCc2c(Cl)cccc2Cl)n1 ZINC000020195657 570913101 /nfs/dbraw/zinc/91/31/01/570913101.db2.gz LSEFKKNIOCRMBD-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN Clc1ccc(-c2n[nH]c(SCc3c(Cl)cccc3Cl)n2)cc1 ZINC000020763719 263383146 /nfs/dbraw/zinc/38/31/46/263383146.db2.gz ASTSJKBEBFDPBO-UHFFFAOYSA-N 0 1 370.692 5.724 40 0 FKABMN Brc1ccc2nc(SCc3cccc4ccccc43)[nH]c2c1 ZINC000020765230 263382772 /nfs/dbraw/zinc/38/27/72/263382772.db2.gz IGGCCGPQCKXMLL-UHFFFAOYSA-N 0 1 369.287 5.771 40 0 FKABMN Clc1cccc(CSc2nc3ccc(Br)cc3[nH]2)c1 ZINC000020765363 263383186 /nfs/dbraw/zinc/38/31/86/263383186.db2.gz KSANDSWMQMVIQU-UHFFFAOYSA-N 0 1 353.672 5.271 40 0 FKABMN Cc1nc(Nc2nc3c(c(-c4ccccc4)n2)CCCC3)nc2ccccc12 ZINC000020798110 570925740 /nfs/dbraw/zinc/92/57/40/570925740.db2.gz XLGISVDNDXGBLV-UHFFFAOYSA-N 0 1 367.456 5.018 40 0 FKABMN Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)[nH]c2c1 ZINC000021141816 207766209 /nfs/dbraw/zinc/76/62/09/207766209.db2.gz HRQSDWAJTNHPNS-UHFFFAOYSA-N 0 1 361.832 5.444 40 0 FKABMN CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039749073 263399487 /nfs/dbraw/zinc/39/94/87/263399487.db2.gz LFXMWOVJJQPQKS-UHFFFAOYSA-N 0 1 370.924 5.062 40 0 FKABMN Cc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c(C)c1 ZINC000039749215 263399484 /nfs/dbraw/zinc/39/94/84/263399484.db2.gz GQFJOMXHEPKUCM-UHFFFAOYSA-N 0 1 370.924 5.116 40 0 FKABMN CC(C)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000039750212 571024602 /nfs/dbraw/zinc/02/46/02/571024602.db2.gz KHWUAFWDNHUWMJ-UHFFFAOYSA-N 0 1 370.924 5.314 40 0 FKABMN Cc1cc(C)c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC000039755319 571025062 /nfs/dbraw/zinc/02/50/62/571025062.db2.gz HTBHHDWCZNNWHW-UHFFFAOYSA-N 0 1 370.924 5.116 40 0 FKABMN CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039759704 571026287 /nfs/dbraw/zinc/02/62/87/571026287.db2.gz VSKGIFKUFNYWFH-UHFFFAOYSA-N 0 1 370.924 5.314 40 0 FKABMN CC(C)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039766126 571023420 /nfs/dbraw/zinc/02/34/20/571023420.db2.gz FHEDTDUJMFVNAM-UHFFFAOYSA-N 0 1 370.924 5.314 40 0 FKABMN CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039766652 571023705 /nfs/dbraw/zinc/02/37/05/571023705.db2.gz VAMFVGWYXRLVAT-UHFFFAOYSA-N 0 1 370.924 5.314 40 0 FKABMN CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039773226 571024084 /nfs/dbraw/zinc/02/40/84/571024084.db2.gz HKWKFGWNFHTCGX-UHFFFAOYSA-N 0 1 370.924 5.314 40 0 FKABMN Clc1ccccc1CSc1nc2ccc(Br)cc2[nH]1 ZINC000059535461 571135311 /nfs/dbraw/zinc/13/53/11/571135311.db2.gz PDRZKEXDIWGROA-UHFFFAOYSA-N 0 1 353.672 5.271 40 0 FKABMN CN1CCC(=C2c3ccccc3Sc3ccc(Br)cc32)CC1 ZINC000060130272 571136374 /nfs/dbraw/zinc/13/63/74/571136374.db2.gz UHGZJXZINNENOT-UHFFFAOYSA-N 0 1 372.331 5.441 40 0 FKABMN COC(=O)C1C(=Nc2ccc(Cl)cc2)C=C(C)C[C@H]1c1ccccc1 ZINC000066091570 205364768 /nfs/dbraw/zinc/36/47/68/205364768.db2.gz XJUNJZUJLREKOI-SFHVURJKSA-N 0 1 353.849 5.313 40 0 FKABMN COC(=O)C1C(=Nc2ccc(Cl)cc2)C=C(C)C[C@@H]1c1ccccc1 ZINC000066091571 205364744 /nfs/dbraw/zinc/36/47/44/205364744.db2.gz XJUNJZUJLREKOI-GOSISDBHSA-N 0 1 353.849 5.313 40 0 FKABMN Cc1cc2nc(-c3cccc4c(Br)cccc34)[nH]c2c(C)c1 ZINC000070462757 210063425 /nfs/dbraw/zinc/06/34/25/210063425.db2.gz YXIHQRPYSZRALU-UHFFFAOYSA-N 0 1 351.247 5.762 40 0 FKABMN Cc1cc2nc(-c3cc(Cl)c(Br)c(Cl)c3)[nH]c2c(C)c1 ZINC000070462779 571051916 /nfs/dbraw/zinc/05/19/16/571051916.db2.gz LRBOKYWGQUEWCP-UHFFFAOYSA-N 0 1 370.077 5.916 40 0 FKABMN c1ccc(COc2ccc([C@H]3CCCCN3Cc3ccccc3)cn2)cc1 ZINC000072212045 570528119 /nfs/dbraw/zinc/52/81/19/570528119.db2.gz GFMAJFRLAZITRO-HSZRJFAPSA-N 0 1 358.485 5.388 40 0 FKABMN c1ccc(COc2ccc([C@@H]3CCCCN3Cc3ccccc3)cn2)cc1 ZINC000072212046 570528051 /nfs/dbraw/zinc/52/80/51/570528051.db2.gz GFMAJFRLAZITRO-QHCPKHFHSA-N 0 1 358.485 5.388 40 0 FKABMN c1ccc(COc2ncccc2[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000072212105 570528016 /nfs/dbraw/zinc/52/80/16/570528016.db2.gz HVZCMDBSUNHBTP-HSZRJFAPSA-N 0 1 358.485 5.388 40 0 FKABMN c1ccc(COc2ncccc2[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000072212106 570528105 /nfs/dbraw/zinc/52/81/05/570528105.db2.gz HVZCMDBSUNHBTP-QHCPKHFHSA-N 0 1 358.485 5.388 40 0 FKABMN CC(C)N(c1ncccc1[C@@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000072213042 570528676 /nfs/dbraw/zinc/52/86/76/570528676.db2.gz OYXCWEJFTGANMW-QFIPXVFZSA-N 0 1 351.538 5.432 40 0 FKABMN CC(C)N(c1ncccc1[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000072213043 570528382 /nfs/dbraw/zinc/52/83/82/570528382.db2.gz OYXCWEJFTGANMW-JOCHJYFZSA-N 0 1 351.538 5.432 40 0 FKABMN CN(c1ccccc1)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072214284 570530171 /nfs/dbraw/zinc/53/01/71/570530171.db2.gz CTJZTIBPMVTCJN-QHCPKHFHSA-N 0 1 357.501 5.577 40 0 FKABMN CN(c1ccccc1)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072214285 570530103 /nfs/dbraw/zinc/53/01/03/570530103.db2.gz CTJZTIBPMVTCJN-HSZRJFAPSA-N 0 1 357.501 5.577 40 0 FKABMN CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072214404 570530012 /nfs/dbraw/zinc/53/00/12/570530012.db2.gz NEEBFTCUNCZNKS-IBGZPJMESA-N 0 1 367.493 5.156 40 0 FKABMN CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072214405 570530126 /nfs/dbraw/zinc/53/01/26/570530126.db2.gz NEEBFTCUNCZNKS-LJQANCHMSA-N 0 1 367.493 5.156 40 0 FKABMN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072214758 570530659 /nfs/dbraw/zinc/53/06/59/570530659.db2.gz NXHFUQTVSOVQDV-SFHVURJKSA-N 0 1 361.530 5.169 40 0 FKABMN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(C)C ZINC000072214759 570530542 /nfs/dbraw/zinc/53/05/42/570530542.db2.gz NXHFUQTVSOVQDV-GOSISDBHSA-N 0 1 361.530 5.169 40 0 FKABMN CCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214936 570530378 /nfs/dbraw/zinc/53/03/78/570530378.db2.gz NHKRJQUCCQUWAC-GOSISDBHSA-N 0 1 361.530 5.169 40 0 FKABMN CCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214937 570530502 /nfs/dbraw/zinc/53/05/02/570530502.db2.gz NHKRJQUCCQUWAC-SFHVURJKSA-N 0 1 361.530 5.169 40 0 FKABMN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(C)C ZINC000072214938 570530570 /nfs/dbraw/zinc/53/05/70/570530570.db2.gz SUKNHVXKVYYYPU-GOSISDBHSA-N 0 1 361.530 5.167 40 0 FKABMN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072214939 570530640 /nfs/dbraw/zinc/53/06/40/570530640.db2.gz SUKNHVXKVYYYPU-SFHVURJKSA-N 0 1 361.530 5.167 40 0 FKABMN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC ZINC000072215054 570531107 /nfs/dbraw/zinc/53/11/07/570531107.db2.gz SYQKKCGIESNSRO-SFHVURJKSA-N 0 1 361.530 5.170 40 0 FKABMN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC ZINC000072215055 570531099 /nfs/dbraw/zinc/53/10/99/570531099.db2.gz SYQKKCGIESNSRO-GOSISDBHSA-N 0 1 361.530 5.170 40 0 FKABMN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC ZINC000072215257 570530894 /nfs/dbraw/zinc/53/08/94/570530894.db2.gz OUQNPYQOOXIBHM-AEFFLSMTSA-N 0 1 361.530 5.169 40 0 FKABMN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC ZINC000072215258 570530909 /nfs/dbraw/zinc/53/09/09/570530909.db2.gz OUQNPYQOOXIBHM-WMZOPIPTSA-N 0 1 361.530 5.169 40 0 FKABMN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC ZINC000072215259 570531134 /nfs/dbraw/zinc/53/11/34/570531134.db2.gz OUQNPYQOOXIBHM-SJLPKXTDSA-N 0 1 361.530 5.169 40 0 FKABMN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC ZINC000072215260 570531118 /nfs/dbraw/zinc/53/11/18/570531118.db2.gz OUQNPYQOOXIBHM-FUHWJXTLSA-N 0 1 361.530 5.169 40 0 FKABMN CCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215520 570532012 /nfs/dbraw/zinc/53/20/12/570532012.db2.gz MUPBHBQYRMVAMF-LJQANCHMSA-N 0 1 373.541 5.313 40 0 FKABMN CCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215521 570532005 /nfs/dbraw/zinc/53/20/05/570532005.db2.gz MUPBHBQYRMVAMF-IBGZPJMESA-N 0 1 373.541 5.313 40 0 FKABMN CC(C)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215522 570532165 /nfs/dbraw/zinc/53/21/65/570532165.db2.gz UQHAISRZXFJCTR-LJQANCHMSA-N 0 1 373.541 5.311 40 0 FKABMN CC(C)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215523 570532118 /nfs/dbraw/zinc/53/21/18/570532118.db2.gz UQHAISRZXFJCTR-IBGZPJMESA-N 0 1 373.541 5.311 40 0 FKABMN CCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215638 570527671 /nfs/dbraw/zinc/52/76/71/570527671.db2.gz RKDCXBDHDQHOLZ-LJQANCHMSA-N 0 1 373.541 5.313 40 0 FKABMN CCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215639 570527537 /nfs/dbraw/zinc/52/75/37/570527537.db2.gz RKDCXBDHDQHOLZ-IBGZPJMESA-N 0 1 373.541 5.313 40 0 FKABMN CCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215733 570533023 /nfs/dbraw/zinc/53/30/23/570533023.db2.gz CUSLBKXYDUYQFR-LJQANCHMSA-N 0 1 373.541 5.313 40 0 FKABMN CCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215734 570532907 /nfs/dbraw/zinc/53/29/07/570532907.db2.gz CUSLBKXYDUYQFR-IBGZPJMESA-N 0 1 373.541 5.313 40 0 FKABMN CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215756 570532890 /nfs/dbraw/zinc/53/28/90/570532890.db2.gz BUVMTCBAXYHGOY-IBGZPJMESA-N 0 1 373.541 5.313 40 0 FKABMN CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215757 570532961 /nfs/dbraw/zinc/53/29/61/570532961.db2.gz BUVMTCBAXYHGOY-LJQANCHMSA-N 0 1 373.541 5.313 40 0 FKABMN CCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215853 570533517 /nfs/dbraw/zinc/53/35/17/570533517.db2.gz LJQCBXMAVDOKPN-LJQANCHMSA-N 0 1 367.493 5.312 40 0 FKABMN CCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215854 570533365 /nfs/dbraw/zinc/53/33/65/570533365.db2.gz LJQCBXMAVDOKPN-IBGZPJMESA-N 0 1 367.493 5.312 40 0 FKABMN c1ccc(CN2CCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217230 570531942 /nfs/dbraw/zinc/53/19/42/570531942.db2.gz GYKNAWZMBOWBGV-OAQYLSRUSA-N 0 1 352.547 5.844 40 0 FKABMN c1ccc(CN2CCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217231 570532041 /nfs/dbraw/zinc/53/20/41/570532041.db2.gz GYKNAWZMBOWBGV-NRFANRHFSA-N 0 1 352.547 5.844 40 0 FKABMN c1ccc(CN2CCCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217267 570531964 /nfs/dbraw/zinc/53/19/64/570531964.db2.gz DQLBXWQOQVZXFL-JOCHJYFZSA-N 0 1 366.574 6.234 40 0 FKABMN c1ccc(CN2CCCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217268 570531974 /nfs/dbraw/zinc/53/19/74/570531974.db2.gz DQLBXWQOQVZXFL-QFIPXVFZSA-N 0 1 366.574 6.234 40 0 FKABMN c1ccc(CN2CCCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217327 570532155 /nfs/dbraw/zinc/53/21/55/570532155.db2.gz OZLVOGNJRPRSRL-JOCHJYFZSA-N 0 1 366.574 6.234 40 0 FKABMN c1ccc(CN2CCCC[C@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217328 570532177 /nfs/dbraw/zinc/53/21/77/570532177.db2.gz OZLVOGNJRPRSRL-QFIPXVFZSA-N 0 1 366.574 6.234 40 0 FKABMN c1ccc(CN2CCCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217627 570532530 /nfs/dbraw/zinc/53/25/30/570532530.db2.gz GLTSZHKAUDMKMO-JOCHJYFZSA-N 0 1 360.526 5.960 40 0 FKABMN c1ccc(CN2CCCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217628 570532462 /nfs/dbraw/zinc/53/24/62/570532462.db2.gz GLTSZHKAUDMKMO-QFIPXVFZSA-N 0 1 360.526 5.960 40 0 FKABMN c1ccc(CN2CCCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217687 570532502 /nfs/dbraw/zinc/53/25/02/570532502.db2.gz SMHULYPLIIIDMB-JOCHJYFZSA-N 0 1 360.526 5.960 40 0 FKABMN c1ccc(CN2CCCC[C@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217688 570532630 /nfs/dbraw/zinc/53/26/30/570532630.db2.gz SMHULYPLIIIDMB-QFIPXVFZSA-N 0 1 360.526 5.960 40 0 FKABMN Clc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2cccnc2)n1 ZINC000072357685 571182717 /nfs/dbraw/zinc/18/27/17/571182717.db2.gz ACMJURPOIXCDRI-QFIPXVFZSA-N 0 1 363.892 5.058 40 0 FKABMN Clc1ccccc1Cc1cccc([C@H]2CCCN2Cc2cccnc2)n1 ZINC000072357686 571182649 /nfs/dbraw/zinc/18/26/49/571182649.db2.gz ACMJURPOIXCDRI-JOCHJYFZSA-N 0 1 363.892 5.058 40 0 FKABMN Clc1ccc(Cc2cccc([C@@H]3CCCN3Cc3cccnc3)n2)cc1 ZINC000072357687 571182658 /nfs/dbraw/zinc/18/26/58/571182658.db2.gz RAJOKPJRLUOBKX-QFIPXVFZSA-N 0 1 363.892 5.058 40 0 FKABMN Clc1ccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)cc1 ZINC000072357688 571182570 /nfs/dbraw/zinc/18/25/70/571182570.db2.gz RAJOKPJRLUOBKX-JOCHJYFZSA-N 0 1 363.892 5.058 40 0 FKABMN Clc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccccn2)n1 ZINC000072357719 571183022 /nfs/dbraw/zinc/18/30/22/571183022.db2.gz USHGHVMEFZIVAC-QFIPXVFZSA-N 0 1 363.892 5.058 40 0 FKABMN Clc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccccn2)n1 ZINC000072357720 571183043 /nfs/dbraw/zinc/18/30/43/571183043.db2.gz USHGHVMEFZIVAC-JOCHJYFZSA-N 0 1 363.892 5.058 40 0 FKABMN O=C(C1CCCCC1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 ZINC000072380277 571187550 /nfs/dbraw/zinc/18/75/50/571187550.db2.gz SKRFBTPSHMCPRH-QGZVFWFLSA-N 0 1 371.912 5.016 40 0 FKABMN O=C(C1CCCCC1)N1CCC[C@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 ZINC000072380278 571187575 /nfs/dbraw/zinc/18/75/75/571187575.db2.gz SKRFBTPSHMCPRH-KRWDZBQOSA-N 0 1 371.912 5.016 40 0 FKABMN O=C(CC1CCCC1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 ZINC000072380339 571188150 /nfs/dbraw/zinc/18/81/50/571188150.db2.gz PVOUAYAXWUAJCX-QGZVFWFLSA-N 0 1 371.912 5.016 40 0 FKABMN O=C(CC1CCCC1)N1CCC[C@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 ZINC000072380340 571188060 /nfs/dbraw/zinc/18/80/60/571188060.db2.gz PVOUAYAXWUAJCX-KRWDZBQOSA-N 0 1 371.912 5.016 40 0 FKABMN Fc1ccc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccc3ncccc3c2)cc1 ZINC000072380349 571188185 /nfs/dbraw/zinc/18/81/85/571188185.db2.gz HBILLSJAEMVCIR-JOCHJYFZSA-N 0 1 372.447 5.101 40 0 FKABMN Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccc3ncccc3c2)cc1 ZINC000072380350 571188134 /nfs/dbraw/zinc/18/81/34/571188134.db2.gz HBILLSJAEMVCIR-QFIPXVFZSA-N 0 1 372.447 5.101 40 0 FKABMN Fc1ccccc1-c1c[nH]nc1[C@@H]1CCCN1Cc1ccc2ncccc2c1 ZINC000072380351 571188159 /nfs/dbraw/zinc/18/81/59/571188159.db2.gz JBILWRJWVQZBIQ-QFIPXVFZSA-N 0 1 372.447 5.101 40 0 FKABMN Fc1ccccc1-c1c[nH]nc1[C@H]1CCCN1Cc1ccc2ncccc2c1 ZINC000072380352 571188156 /nfs/dbraw/zinc/18/81/56/571188156.db2.gz JBILWRJWVQZBIQ-JOCHJYFZSA-N 0 1 372.447 5.101 40 0 FKABMN Fc1ccc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccnc3ccccc23)cc1 ZINC000072380367 571188172 /nfs/dbraw/zinc/18/81/72/571188172.db2.gz RFUBUHHBYMOAQG-JOCHJYFZSA-N 0 1 372.447 5.101 40 0 FKABMN Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccnc3ccccc23)cc1 ZINC000072380368 571188145 /nfs/dbraw/zinc/18/81/45/571188145.db2.gz RFUBUHHBYMOAQG-QFIPXVFZSA-N 0 1 372.447 5.101 40 0 FKABMN O=C([O-])c1ccc(Nc2cc[nH+]c3ccc(Oc4ccccc4)cc23)cc1 ZINC000078401517 205620734 /nfs/dbraw/zinc/62/07/34/205620734.db2.gz YGRYZFGDBNJCGM-UHFFFAOYSA-N 0 1 356.381 5.469 40 0 FKABMN O=C([O-])c1cccc(Nc2cc[nH+]c3ccc(Oc4ccccc4)cc23)c1 ZINC000078401520 205620529 /nfs/dbraw/zinc/62/05/29/205620529.db2.gz YHHQUBYABJZBEJ-UHFFFAOYSA-N 0 1 356.381 5.469 40 0 FKABMN O=C([O-])c1ccccc1Nc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000078401521 571216244 /nfs/dbraw/zinc/21/62/44/571216244.db2.gz UHUYLMXFNLZKCK-UHFFFAOYSA-N 0 1 356.381 5.469 40 0 FKABMN CCOc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1OCC ZINC000085385193 570536870 /nfs/dbraw/zinc/53/68/70/570536870.db2.gz LIZGMWOTOSHYLH-UHFFFAOYSA-N 0 1 365.477 5.234 40 0 FKABMN CCOc1ccc(-c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1OCC ZINC000085385193 570536866 /nfs/dbraw/zinc/53/68/66/570536866.db2.gz LIZGMWOTOSHYLH-UHFFFAOYSA-N 0 1 365.477 5.234 40 0 FKABMN c1ccc([C@H]2C3=C(c4ccccc4CC3)N3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000102692924 222304838 /nfs/dbraw/zinc/30/48/38/222304838.db2.gz CKZZOIDHUAISOG-GIFXNVAJSA-N 0 1 357.497 5.360 40 0 FKABMN Cc1ccc(N=C2C[C@@H](c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000103764416 570772393 /nfs/dbraw/zinc/77/23/93/570772393.db2.gz HRUKIALOGDQWGF-DEOSSOPVSA-N 0 1 368.480 5.696 40 0 FKABMN Cc1ccc(N=C2C[C@H](c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000103764419 570772219 /nfs/dbraw/zinc/77/22/19/570772219.db2.gz HRUKIALOGDQWGF-XMMPIXPASA-N 0 1 368.480 5.696 40 0 FKABMN C[C@@H]1CC2C[C@H](C)CC(c3cc(Br)c(O)c(C=O)c3)(C2)C1 ZINC000104859732 222362911 /nfs/dbraw/zinc/36/29/11/222362911.db2.gz AGMSQKWELKKRGR-CSCWVGTJSA-N 0 1 351.284 5.071 40 0 FKABMN CCOC(=O)c1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000199818614 571278193 /nfs/dbraw/zinc/27/81/93/571278193.db2.gz IBWJZYZXFQFCRU-UHFFFAOYSA-N 0 1 359.469 5.066 40 0 FKABMN Brc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cn1 ZINC000199826290 571278230 /nfs/dbraw/zinc/27/82/30/571278230.db2.gz JOUFHFASUMIPSW-UHFFFAOYSA-N 0 1 367.290 5.047 40 0 FKABMN Cc1ccccc1-c1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000216051190 206353872 /nfs/dbraw/zinc/35/38/72/206353872.db2.gz MUYWBXKBGLIXAB-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN Cc1ccccc1-c1n[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000216051259 206354631 /nfs/dbraw/zinc/35/46/31/206354631.db2.gz YKXGBMJMDFQUBB-UHFFFAOYSA-N 0 1 350.274 5.379 40 0 FKABMN COc1cc2nc(-c3cccc4ccccc43)[nH]c2c(Br)c1 ZINC000216912494 571153662 /nfs/dbraw/zinc/15/36/62/571153662.db2.gz IFDIKBPJGTXHLR-UHFFFAOYSA-N 0 1 353.219 5.154 40 0 FKABMN Clc1cc2nc(C(c3ccccc3)c3ccccc3)[nH]c2c(Cl)c1 ZINC000216913703 571153568 /nfs/dbraw/zinc/15/35/68/571153568.db2.gz ADSQTCDBIKXJPF-UHFFFAOYSA-N 0 1 353.252 6.050 40 0 FKABMN CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000223434566 209760224 /nfs/dbraw/zinc/76/02/24/209760224.db2.gz NXGHVPJCVMOYBQ-UHFFFAOYSA-N 0 1 363.891 5.016 40 0 FKABMN CCCCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc1 ZINC000223439113 568655328 /nfs/dbraw/zinc/65/53/28/568655328.db2.gz JUWNNGBKIKWIGT-UHFFFAOYSA-N 0 1 369.939 5.205 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)[nH]c2c1 ZINC000225260289 571024400 /nfs/dbraw/zinc/02/44/00/571024400.db2.gz PXQDRZWCIKXNNB-UHFFFAOYSA-N 0 1 359.473 5.159 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)[nH]c2c1 ZINC000225260511 571024478 /nfs/dbraw/zinc/02/44/78/571024478.db2.gz PHEGESZHHKVMIX-INIZCTEOSA-N 0 1 355.441 5.029 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)[nH]c2c1 ZINC000225260545 209805769 /nfs/dbraw/zinc/80/57/69/209805769.db2.gz PHEGESZHHKVMIX-MRXNPFEDSA-N 0 1 355.441 5.029 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)[nH]c2c1 ZINC000225261068 571024305 /nfs/dbraw/zinc/02/43/05/571024305.db2.gz JOQYBAIWQVOTQN-UHFFFAOYSA-N 0 1 355.441 5.407 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4ccc(C)cc4C)cc3)[nH]c2c1 ZINC000225261117 571024462 /nfs/dbraw/zinc/02/44/62/571024462.db2.gz LZCIBQDWKIAMKJ-UHFFFAOYSA-N 0 1 355.441 5.407 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4cc(C)ccc4C)cc3)[nH]c2c1 ZINC000225261162 571024414 /nfs/dbraw/zinc/02/44/14/571024414.db2.gz FGFUOIABGZBJGP-UHFFFAOYSA-N 0 1 355.441 5.407 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4c(C)cccc4C)cc3)[nH]c2c1 ZINC000225261203 571024255 /nfs/dbraw/zinc/02/42/55/571024255.db2.gz WZDCIQLEFTXDPT-UHFFFAOYSA-N 0 1 355.441 5.407 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)[nH]c2c1 ZINC000225261249 571024276 /nfs/dbraw/zinc/02/42/76/571024276.db2.gz VKYRXEGFXMJLTA-UHFFFAOYSA-N 0 1 355.441 5.407 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)[nH]c2c1 ZINC000225261295 571024321 /nfs/dbraw/zinc/02/43/21/571024321.db2.gz OPIZDCOTBJQBFM-UHFFFAOYSA-N 0 1 355.441 5.407 40 0 FKABMN CCc1ccccc1NC(=O)c1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000225261344 571024295 /nfs/dbraw/zinc/02/42/95/571024295.db2.gz FXWXUDQWJXWYIL-UHFFFAOYSA-N 0 1 355.441 5.353 40 0 FKABMN CCc1ccc(NC(=O)c2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000225261388 571024289 /nfs/dbraw/zinc/02/42/89/571024289.db2.gz YBBZSBLJNBUYSG-UHFFFAOYSA-N 0 1 355.441 5.353 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)[nH]c2c1 ZINC000225261432 571024485 /nfs/dbraw/zinc/02/44/85/571024485.db2.gz IDMYIWVYXQGJNE-UHFFFAOYSA-N 0 1 369.468 5.914 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4Cl)cc3)[nH]c2c1 ZINC000225261592 571024384 /nfs/dbraw/zinc/02/43/84/571024384.db2.gz ONZHALDJNLZUFR-UHFFFAOYSA-N 0 1 361.832 5.444 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000225261644 571024805 /nfs/dbraw/zinc/02/48/05/571024805.db2.gz HLOQKEQKQMADDV-UHFFFAOYSA-N 0 1 361.832 5.444 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000225261679 571024926 /nfs/dbraw/zinc/02/49/26/571024926.db2.gz WEVQSGNSYLUCJH-UHFFFAOYSA-N 0 1 361.832 5.444 40 0 FKABMN CCOc1ccccc1NC(=O)c1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000225262446 571024949 /nfs/dbraw/zinc/02/49/49/571024949.db2.gz WMYVYCVIUCVHMK-UHFFFAOYSA-N 0 1 371.440 5.189 40 0 FKABMN CCOc1ccc(NC(=O)c2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000225262481 571024760 /nfs/dbraw/zinc/02/47/60/571024760.db2.gz LOGAKAAFKCRRBK-UHFFFAOYSA-N 0 1 371.440 5.189 40 0 FKABMN COc1ccc(C)cc1NC(=O)c1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000225262669 571024848 /nfs/dbraw/zinc/02/48/48/571024848.db2.gz VCILQRFYGYYLJU-UHFFFAOYSA-N 0 1 371.440 5.108 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3)[nH]c2c1 ZINC000225264142 209805376 /nfs/dbraw/zinc/80/53/76/209805376.db2.gz LIAHTKHXUINNEI-UHFFFAOYSA-N 0 1 369.468 5.716 40 0 FKABMN Cc1ccc2nc(-c3ccc(C(=O)NC4CCCCCCC4)cc3)[nH]c2c1 ZINC000225264449 571024868 /nfs/dbraw/zinc/02/48/68/571024868.db2.gz VGGMIHVDFCEYMS-UHFFFAOYSA-N 0 1 361.489 5.381 40 0 FKABMN Cc1ccccc1NC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000225265693 571025216 /nfs/dbraw/zinc/02/52/16/571025216.db2.gz MWQRXLIQZSZQIL-UHFFFAOYSA-N 0 1 361.832 5.444 40 0 FKABMN Cc1cccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)c1 ZINC000225265746 571025278 /nfs/dbraw/zinc/02/52/78/571025278.db2.gz OSABBCXLFNZXMH-UHFFFAOYSA-N 0 1 361.832 5.444 40 0 FKABMN Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1 ZINC000225265782 571025346 /nfs/dbraw/zinc/02/53/46/571025346.db2.gz OLLHHQLJZRGKKF-UHFFFAOYSA-N 0 1 361.832 5.444 40 0 FKABMN O=C(Nc1ccccc1F)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000225266296 571025417 /nfs/dbraw/zinc/02/54/17/571025417.db2.gz ITJGVNWHUIIAJP-UHFFFAOYSA-N 0 1 365.795 5.275 40 0 FKABMN O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000225266329 571025441 /nfs/dbraw/zinc/02/54/41/571025441.db2.gz AMIVWOOUIQCUTQ-UHFFFAOYSA-N 0 1 365.795 5.275 40 0 FKABMN Cc1cc2nc(-c3ccc(-c4nc5cc(C)cc(C)c5[nH]4)cc3)[nH]c2c(C)c1 ZINC000226237222 570610981 /nfs/dbraw/zinc/61/09/81/570610981.db2.gz MJPTWCYCZKCMEF-UHFFFAOYSA-N 0 1 366.468 6.007 40 0 FKABMN Cc1cc2nc(-c3ccc(-c4nc5c(cc(C)cc5C)[nH]4)cc3)[nH]c2c(C)c1 ZINC000226237222 570610979 /nfs/dbraw/zinc/61/09/79/570610979.db2.gz MJPTWCYCZKCMEF-UHFFFAOYSA-N 0 1 366.468 6.007 40 0 FKABMN Cc1cc2nc(-c3cccc(-c4nc5cc(C)cc(C)c5[nH]4)c3)[nH]c2c(C)c1 ZINC000226237279 209366220 /nfs/dbraw/zinc/36/62/20/209366220.db2.gz CYEKVLKTLKQKLP-UHFFFAOYSA-N 0 1 366.468 6.007 40 0 FKABMN Cc1cc2nc(-c3cccc(-c4nc5c(cc(C)cc5C)[nH]4)c3)[nH]c2c(C)c1 ZINC000226237279 209366218 /nfs/dbraw/zinc/36/62/18/209366218.db2.gz CYEKVLKTLKQKLP-UHFFFAOYSA-N 0 1 366.468 6.007 40 0 FKABMN Clc1ccccc1CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000253562181 571317764 /nfs/dbraw/zinc/31/77/64/571317764.db2.gz CZDNIIPCOJRLQT-UHFFFAOYSA-N 0 1 359.926 5.218 40 0 FKABMN Clc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)[nH]2)cc1 ZINC000253572931 571317725 /nfs/dbraw/zinc/31/77/25/571317725.db2.gz QTZPHLCTKQLJAE-UHFFFAOYSA-N 0 1 359.926 5.218 40 0 FKABMN C[C@@H]1C[C@H]2C[C@H](C)C[C@@](c3cc(Br)c(O)c(C=O)c3)(C1)C2 ZINC000254615219 571317990 /nfs/dbraw/zinc/31/79/90/571317990.db2.gz AGMSQKWELKKRGR-BKQKLNMISA-N 0 1 351.284 5.071 40 0 FKABMN Cc1ccccc1Cc1ccc([C@@H]2CCCCN2Cc2cccnc2)cn1 ZINC000257275720 223046462 /nfs/dbraw/zinc/04/64/62/223046462.db2.gz NQQHIUMYXLKYRL-DEOSSOPVSA-N 0 1 357.501 5.103 40 0 FKABMN Cc1ccccc1Cc1ccc([C@H]2CCCCN2Cc2cccnc2)cn1 ZINC000257275721 571318311 /nfs/dbraw/zinc/31/83/11/571318311.db2.gz NQQHIUMYXLKYRL-XMMPIXPASA-N 0 1 357.501 5.103 40 0 FKABMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)nc1 ZINC000257336851 223070252 /nfs/dbraw/zinc/07/02/52/223070252.db2.gz YQHHZIQWMWOZGF-HSZRJFAPSA-N 0 1 372.468 5.092 40 0 FKABMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)nc1 ZINC000257336852 210003305 /nfs/dbraw/zinc/00/33/05/210003305.db2.gz YQHHZIQWMWOZGF-QHCPKHFHSA-N 0 1 372.468 5.092 40 0 FKABMN CCCCCn1cc(-c2nc(CN(CC)CC)cs2)c2ccccc21 ZINC000299817250 210041919 /nfs/dbraw/zinc/04/19/19/210041919.db2.gz PCNLLVFKBKMRDB-UHFFFAOYSA-N 0 1 355.551 5.797 40 0 in-vitro FKABMN CC(C)c1nc(NCc2ccccc2)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000328957183 132371853 /nfs/dbraw/zinc/37/18/53/132371853.db2.gz AJODVGNJQCWAQQ-GOSISDBHSA-N 0 1 372.516 5.163 40 0 FKABMN CC(C)c1nc(NCc2ccccc2)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000328957194 132371864 /nfs/dbraw/zinc/37/18/64/132371864.db2.gz AJODVGNJQCWAQQ-SFHVURJKSA-N 0 1 372.516 5.163 40 0 FKABMN CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C(C)C)n1 ZINC000328958406 132371918 /nfs/dbraw/zinc/37/19/18/132371918.db2.gz ANLRDVGGZVPUBB-INIZCTEOSA-N 0 1 352.526 5.152 40 0 FKABMN CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C(C)C)n1 ZINC000328958407 132371912 /nfs/dbraw/zinc/37/19/12/132371912.db2.gz ANLRDVGGZVPUBB-MRXNPFEDSA-N 0 1 352.526 5.152 40 0 FKABMN CC(C)c1nc(NC2CCCC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328972107 132372079 /nfs/dbraw/zinc/37/20/79/132372079.db2.gz DSZSKNOYJLUKLU-UHFFFAOYSA-N 0 1 364.537 5.252 40 0 FKABMN CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CCCCC2)n1 ZINC000328979171 132372105 /nfs/dbraw/zinc/37/21/05/132372105.db2.gz GDSANMIFTOPCJF-UHFFFAOYSA-N 0 1 364.537 5.125 40 0 FKABMN CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C(C)C)n1 ZINC000328983200 132372001 /nfs/dbraw/zinc/37/20/01/132372001.db2.gz HEVPAXVYOFXNIW-AWEZNQCLSA-N 0 1 358.917 5.027 40 0 FKABMN CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C(C)C)n1 ZINC000328983204 132372034 /nfs/dbraw/zinc/37/20/34/132372034.db2.gz HEVPAXVYOFXNIW-CQSZACIVSA-N 0 1 358.917 5.027 40 0 FKABMN CC(C)c1nc(NC2CCCCC2)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329012532 132372478 /nfs/dbraw/zinc/37/24/78/132372478.db2.gz MJVLQVGNSXOGTH-KRWDZBQOSA-N 0 1 364.537 5.296 40 0 FKABMN CC(C)c1nc(NC2CCCCC2)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329012533 132372517 /nfs/dbraw/zinc/37/25/17/132372517.db2.gz MJVLQVGNSXOGTH-QGZVFWFLSA-N 0 1 364.537 5.296 40 0 FKABMN CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C(C)C)n1 ZINC000329018866 132372599 /nfs/dbraw/zinc/37/25/99/132372599.db2.gz NTDYSJLMNTXNEC-INIZCTEOSA-N 0 1 352.526 5.108 40 0 FKABMN CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C(C)C)n1 ZINC000329018867 132372481 /nfs/dbraw/zinc/37/24/81/132372481.db2.gz NTDYSJLMNTXNEC-MRXNPFEDSA-N 0 1 352.526 5.108 40 0 FKABMN CC(C)c1nc(NC2CCCC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329019797 132372621 /nfs/dbraw/zinc/37/26/21/132372621.db2.gz NXWOYTGOIVRLDR-UHFFFAOYSA-N 0 1 364.537 5.296 40 0 FKABMN CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CCCCC2)n1 ZINC000329046956 132373111 /nfs/dbraw/zinc/37/31/11/132373111.db2.gz UDCVOHJYJGHKOR-UHFFFAOYSA-N 0 1 364.537 5.081 40 0 FKABMN CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000329070232 132373240 /nfs/dbraw/zinc/37/32/40/132373240.db2.gz ZFEBFFXTEHPIBY-UHFFFAOYSA-N 0 1 370.928 5.171 40 0 FKABMN CCOc1ccccc1-c1n[nH]c(SCc2cccc3ccccc32)n1 ZINC000408527112 570939628 /nfs/dbraw/zinc/93/96/28/570939628.db2.gz KYJUOJPGEZHPHX-UHFFFAOYSA-N 0 1 361.470 5.316 40 0 FKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408622805 570958314 /nfs/dbraw/zinc/95/83/14/570958314.db2.gz RIUOFRYLWSHFJR-UHFFFAOYSA-N 0 1 371.483 5.002 40 0 FKABMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C ZINC000408701548 570967780 /nfs/dbraw/zinc/96/77/80/570967780.db2.gz ZOBKRPRSPPDCCK-UHFFFAOYSA-N 0 1 361.507 5.051 40 0 FKABMN