smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000004886305 204172979 /nfs/dbraw/zinc/17/29/79/204172979.db2.gz DYBDDRSSYVBRRI-AYHJJNSGSA-N 0 3 353.466 4.159 3 0 FIAFHN COc1cccc(CN2CC[C@](C)(Oc3cccc(Cl)c3)C2)c1OC ZINC000061904532 205287727 /nfs/dbraw/zinc/28/77/27/205287727.db2.gz AMWICKZQVIOVFN-FQEVSTJZSA-N 0 3 361.869 4.401 3 0 FIAFHN Clc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 ZINC000066251024 205364160 /nfs/dbraw/zinc/36/41/60/205364160.db2.gz NJQJJWQZVOBHGI-UHFFFAOYSA-N 0 3 362.930 4.313 1 0 FIAFHN CN(C)CCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl ZINC000001634416 204015014 /nfs/dbraw/zinc/01/50/14/204015014.db2.gz AXJJPQPZWHVERL-UHFFFAOYSA-N 0 3 352.265 4.028 1 0 FIAFHN Cc1c2cc([C@H](N)c3cccc(O)c3)ccc2sc1-c1ccnc(N)n1 ZINC000049047843 205168644 /nfs/dbraw/zinc/16/86/44/205168644.db2.gz QCUUDSQQOCLPFV-GOSISDBHSA-N 0 3 362.458 4.003 1 0 FIAFHN COc1cc(C[C@H]2C=C(c3ccccc3)CCN2C)cc(OC)c1OC ZINC000169320227 206251129 /nfs/dbraw/zinc/25/11/29/206251129.db2.gz VDEWLNRSEGMADL-IBGZPJMESA-N 0 3 353.462 4.043 1 0 FIAFHN c1c(CN2CCN(c3ccccc3)CC2)c2ccccc2n1-c1ccccn1 ZINC000103265604 132237315 /nfs/dbraw/zinc/23/73/15/132237315.db2.gz HSLSFIHZBAEOEB-UHFFFAOYSA-N 0 3 368.484 4.348 1 0 FIAFHN Fc1ccc2c(c1)C[C@H](CCN1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000169350275 132261724 /nfs/dbraw/zinc/26/17/24/132261724.db2.gz XASUAOWUPBWGMW-MRXNPFEDSA-N 0 3 358.888 4.406 1 0 FIAFHN O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1 ZINC000004336620 204133970 /nfs/dbraw/zinc/13/39/70/204133970.db2.gz KMIVFOQFRIPVDV-UHFFFAOYSA-N 0 3 362.448 4.373 1 0 FIAFHN CC(=O)O[C@@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 ZINC000026579498 204853265 /nfs/dbraw/zinc/85/32/65/204853265.db2.gz VZHJNLMLCLYEGB-JOCHJYFZSA-N 0 3 351.446 4.184 1 0 FIAFHN CCc1nn(-c2ccccc2)cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000040862558 205082513 /nfs/dbraw/zinc/08/25/13/205082513.db2.gz XFTTZUDLLNOYGR-UHFFFAOYSA-N 0 3 373.500 4.456 1 0 FIAFHN O=C(/C=C/c1ccccc1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 ZINC000043076568 205100498 /nfs/dbraw/zinc/10/04/98/205100498.db2.gz DXMGONNADLQMGE-GULCCPCXSA-N 0 3 374.459 4.383 1 0 FIAFHN Fc1ccc2c(c1)C[C@@H](CCN1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000169350274 132261791 /nfs/dbraw/zinc/26/17/91/132261791.db2.gz XASUAOWUPBWGMW-INIZCTEOSA-N 0 3 358.888 4.406 1 0 FIAFHN COCc1cc2c(s1)CN(C)C[C@@H]2c1ccc(Br)cc1 ZINC000038157543 205038403 /nfs/dbraw/zinc/03/84/03/205038403.db2.gz IIWILZXBPWXHAP-OAHLLOKOSA-N 0 3 352.297 4.234 1 0 FIAFHN Fc1cccc(F)c1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1 ZINC000100085753 132232406 /nfs/dbraw/zinc/23/24/06/132232406.db2.gz UETLUCBWJPUFQM-CALCHBBNSA-N 0 3 357.448 4.208 1 0 FIAFHN Oc1ccc2[nH]cc(CCN3CCN(c4cccc5ccccc54)CC3)c2c1 ZINC000169339882 132261785 /nfs/dbraw/zinc/26/17/85/132261785.db2.gz LGZBUKYZDPMWQV-UHFFFAOYSA-N 0 3 371.484 4.391 1 0 FIAFHN Nc1c2ccccc2nc2c1[C@@H](N1CCN(c3ccccc3)CC1)CCC2 ZINC000003802302 132385754 /nfs/dbraw/zinc/38/57/54/132385754.db2.gz FDSMRKVPFKEAPH-NRFANRHFSA-N 0 3 358.489 4.017 1 0 FIAFHN CN1CCC([C@@](O)(c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000006437979 204248535 /nfs/dbraw/zinc/24/85/35/204248535.db2.gz LQVHOPLMWCXWKV-LJQANCHMSA-N 0 3 360.295 4.027 1 0 FIAFHN CN(C)c1ccnc2ccc(NC(=O)Nc3ccnc4ccccc43)cc21 ZINC000045202768 205117856 /nfs/dbraw/zinc/11/78/56/205117856.db2.gz LQVPWVYJSKMJRM-UHFFFAOYSA-N 0 3 357.417 4.493 1 0 FIAFHN O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000143298970 206138257 /nfs/dbraw/zinc/13/82/57/206138257.db2.gz BBMXHMMGPRLFBR-DQEYMECFSA-N 0 3 372.512 4.279 1 0 FIAFHN Cc1ccc2c(c1)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]1N2C ZINC000169331681 206252441 /nfs/dbraw/zinc/25/24/41/206252441.db2.gz ITSNRBHKRKVFFB-IFMALSPDSA-N 0 3 366.480 4.405 1 0 FIAFHN Fc1cccc(F)c1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1 ZINC000100085750 132231932 /nfs/dbraw/zinc/23/19/32/132231932.db2.gz UETLUCBWJPUFQM-QAQDUYKDSA-N 0 3 357.448 4.208 1 0 FIAFHN c1c(CN2CCN(c3ccccc3)CC2)c2ccccc2n1-c1cccnc1 ZINC000103265613 132237278 /nfs/dbraw/zinc/23/72/78/132237278.db2.gz GTEIGVCCQWDXOK-UHFFFAOYSA-N 0 3 368.484 4.348 1 0 FIAFHN COc1ccccc1[C@]1(N2CCN(c3ccccc3)CC2)[C@@H]2C[C@@H](C)C[C@@H]21 ZINC000101511246 537111159 /nfs/dbraw/zinc/11/11/59/537111159.db2.gz KETIGQXUUQTJJR-QVAYLADUSA-N 0 3 362.517 4.389 1 0 FIAFHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(c1)ncn2C1CCCC1 ZINC000002933267 204069179 /nfs/dbraw/zinc/06/91/79/204069179.db2.gz ZKBWYYXXBZNTDS-IAGOWNOFSA-N 0 3 368.525 4.144 1 0 FIAFHN O=C1[C@@H]2[C@H]3S[C@H](c4c3ccc3ccccc43)[C@@H]2C(=O)N1c1ccccc1 ZINC000005883321 204230376 /nfs/dbraw/zinc/23/03/76/204230376.db2.gz ZFPGOEXUFNQOHD-ZGXWSNOMSA-N 0 3 357.434 4.488 1 0 FIAFHN NC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000026005422 204845682 /nfs/dbraw/zinc/84/56/82/204845682.db2.gz WAYHLMCBGBNUES-HSZRJFAPSA-N 0 3 367.452 4.332 1 0 FIAFHN C[C@H](O)CN1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160970 205006961 /nfs/dbraw/zinc/00/69/61/205006961.db2.gz DGAHSQWDPUWZAR-BTYIYWSLSA-N 0 3 365.452 4.401 1 0 FIAFHN CCC(CC)n1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2 ZINC000040374312 205066382 /nfs/dbraw/zinc/06/63/82/205066382.db2.gz BOMVRTMBCWESTQ-QKYXUNIQSA-N 0 3 354.494 4.135 1 0 FIAFHN O=C1c2cc3c(cc2[N+]([O-])=C1c1ccc(Oc2ccccc2)cc1)OCO3 ZINC000045245889 205119553 /nfs/dbraw/zinc/11/95/53/205119553.db2.gz JNMYTAOKGYVCRG-UHFFFAOYSA-N 0 3 359.337 4.035 1 0 FIAFHN O=[N+]1c2cc3c(cc2C([O-])=C1c1ccc(Oc2ccccc2)cc1)OCO3 ZINC000045245889 205119557 /nfs/dbraw/zinc/11/95/57/205119557.db2.gz JNMYTAOKGYVCRG-UHFFFAOYSA-N 0 3 359.337 4.035 1 0 FIAFHN CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000049111939 205170818 /nfs/dbraw/zinc/17/08/18/205170818.db2.gz ARTZDEVJPRRYHR-UHFFFAOYSA-N 0 3 373.447 4.165 1 0 FIAFHN COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C ZINC000061921183 205289219 /nfs/dbraw/zinc/28/92/19/205289219.db2.gz RLLBOELLJDZAIN-GHTZIAJQSA-N 0 3 363.457 4.059 3 0 FIAFHN COc1cc(C[C@@H]2C=C(c3ccccc3)CCN2C)cc(OC)c1OC ZINC000169320223 206249926 /nfs/dbraw/zinc/24/99/26/206249926.db2.gz VDEWLNRSEGMADL-LJQANCHMSA-N 0 3 353.462 4.043 1 0 FIAFHN O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1 ZINC000049785912 221027629 /nfs/dbraw/zinc/02/76/29/221027629.db2.gz BVVYFGNETCYNNY-UHFFFAOYSA-N 0 3 356.297 4.111 1 0 FIAFHN CN[C@H](c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc21 ZINC000000589926 219305484 /nfs/dbraw/zinc/30/54/84/219305484.db2.gz GNRSVTHQXVXCIC-OAQYLSRUSA-N 0 3 362.473 4.149 1 0 FIAFHN O=C(c1cc2ccc(C(F)(F)F)cc2o1)N1CCC[C@H]1CN1CCCC1 ZINC000036188012 205007878 /nfs/dbraw/zinc/00/78/78/205007878.db2.gz FEWXSMUQIMFEBX-HNNXBMFYSA-N 0 3 366.383 4.152 1 0 FIAFHN COc1ccc(NC(=O)Nc2nc([C@H](N)C3CCCCC3)cs2)cc1 ZINC000061902242 205287949 /nfs/dbraw/zinc/28/79/49/205287949.db2.gz RTOADZFGZVEFHB-MRXNPFEDSA-N 0 3 360.483 4.376 3 0 FIAFHN O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2CCCN2[C@@H]2COc3ccccc3[C@H]12 ZINC000064573595 205300307 /nfs/dbraw/zinc/30/03/07/205300307.db2.gz IUEXTMRTZMMISL-JYBIWHBTSA-N 0 3 353.849 4.162 1 0 FIAFHN Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1N1CCNCC1 ZINC000040936881 136120455 /nfs/dbraw/zinc/12/04/55/136120455.db2.gz OYFNTXGCTNHUIR-UHFFFAOYSA-N 0 3 351.277 4.290 1 0 FIAFHN O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)N2Cc1[nH]nc2ccccc21 ZINC000101185169 209221477 /nfs/dbraw/zinc/22/14/77/209221477.db2.gz IHAPBZBYXJKWJA-LFUKPOHLSA-N 0 3 367.880 4.231 1 0 FIAFHN O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c2ccccc21 ZINC000101185169 209221473 /nfs/dbraw/zinc/22/14/73/209221473.db2.gz IHAPBZBYXJKWJA-LFUKPOHLSA-N 0 3 367.880 4.231 1 0 FIAFHN COc1ccc([C@@H]2CC(=O)N[C@H]3CCCC[C@@H]3N2Cc2ccccc2)cc1 ZINC000096929580 209162913 /nfs/dbraw/zinc/16/29/13/209162913.db2.gz CQLOYQHVHMMETF-FKBYEOEOSA-N 0 3 364.489 4.070 1 0 FIAFHN C[C@@H](O)CN1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160974 208150486 /nfs/dbraw/zinc/15/04/86/208150486.db2.gz DGAHSQWDPUWZAR-QVKFZJNVSA-N 0 3 365.452 4.401 1 0 FIAFHN CN1CCC=C([C@@H]2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 ZINC000045299919 208330342 /nfs/dbraw/zinc/33/03/42/208330342.db2.gz MPQZILZHYZIGDB-NRFANRHFSA-N 0 3 365.502 4.098 1 0 FIAFHN Cc1c2cc([C@@H](N)c3cccc(O)c3)ccc2sc1-c1ccnc(N)n1 ZINC000049047847 581092293 /nfs/dbraw/zinc/09/22/93/581092293.db2.gz QCUUDSQQOCLPFV-SFHVURJKSA-N 0 3 362.458 4.003 1 0 FIAFHN O=c1[nH]nc(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc21 ZINC000009692000 581101177 /nfs/dbraw/zinc/10/11/77/581101177.db2.gz LIUHMYXLEFZHEQ-UHFFFAOYSA-N 0 3 359.473 4.447 1 0 FIAFHN O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000143299162 209380291 /nfs/dbraw/zinc/38/02/91/209380291.db2.gz BBMXHMMGPRLFBR-JWQCQUIFSA-N 0 3 372.512 4.279 1 0 FIAFHN COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)NC(=N)CS2)cc1 ZINC000096906034 209160242 /nfs/dbraw/zinc/16/02/42/209160242.db2.gz JFLAZALMCCYJTK-OAQYLSRUSA-N 0 3 361.470 4.062 1 0 FIAFHN CCCCc1ccc2[nH]c(C)c(CN(C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008717226 207243452 /nfs/dbraw/zinc/24/34/52/207243452.db2.gz WNLPAFILETVHBK-UHFFFAOYSA-N 0 3 355.526 4.117 1 0 FIAFHN C[C@H]1CN2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075257 208118493 /nfs/dbraw/zinc/11/84/93/208118493.db2.gz KFASSAPEPBYWOW-RMVZNSSTSA-N 0 3 350.506 4.047 1 0 FIAFHN C[C@@H](O)CN1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160978 208147936 /nfs/dbraw/zinc/14/79/36/208147936.db2.gz DGAHSQWDPUWZAR-VFNWGFHPSA-N 0 3 365.452 4.401 1 0 FIAFHN COc1ccc([C@]2(N3CCN(c4ccccc4)CC3)[C@@H]3C[C@@H](C)C[C@@H]32)cc1 ZINC000101511255 536948963 /nfs/dbraw/zinc/94/89/63/536948963.db2.gz QGLIHYITOQAXBB-BROAAPDQSA-N 0 3 362.517 4.389 1 0 FIAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NCC)c1-3 ZINC000035930570 208137566 /nfs/dbraw/zinc/13/75/66/208137566.db2.gz AUWJEOYYGQLWQK-GOSISDBHSA-N 0 3 350.462 4.327 1 0 FIAFHN Cc1ccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)cc1 ZINC000035075215 208116960 /nfs/dbraw/zinc/11/69/60/208116960.db2.gz ZWDRGROQJMUOOH-BPUDTRNYSA-N 0 3 364.533 4.185 1 0 FIAFHN C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075232 208120110 /nfs/dbraw/zinc/12/01/10/208120110.db2.gz OFVJIPBZIJXBCH-QTGUNEKASA-N 0 3 356.554 4.256 1 0 FIAFHN NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4cc(F)ccc4[O-])c3O)cc2c1 ZINC000040556795 208254395 /nfs/dbraw/zinc/25/43/95/208254395.db2.gz ZUIFDFCNIRXSDD-UHFFFAOYSA-N 0 3 361.376 4.336 1 0 FIAFHN CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(Cl)nc2ccc(OC)cc21 ZINC000045210142 208328405 /nfs/dbraw/zinc/32/84/05/208328405.db2.gz XJIBDOHIONJNPE-OCCRYCDCSA-N 0 3 360.885 4.051 1 0 FIAFHN CN1CCN(CCCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000053156498 136124823 /nfs/dbraw/zinc/12/48/23/136124823.db2.gz ZKHCDKLHSIZAQE-UHFFFAOYSA-N 0 3 353.535 4.317 1 0 FIAFHN Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c21 ZINC000026650889 136153268 /nfs/dbraw/zinc/15/32/68/136153268.db2.gz RBUDKKJLRVBPDA-UHFFFAOYSA-N 0 3 370.294 4.253 1 0 in-vivo FIAFHN O=C1[C@@H]2C=CC=C2C[C@H]1CCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000100876499 209218854 /nfs/dbraw/zinc/21/88/54/209218854.db2.gz GGEFSRKFXAJIQL-SJLPKXTDSA-N 0 3 366.436 4.238 1 0 FIAFHN COc1ccc([C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]3N2Cc2ccccc2)cc1 ZINC000096929578 209163165 /nfs/dbraw/zinc/16/31/65/209163165.db2.gz CQLOYQHVHMMETF-FSSWDIPSSA-N 0 3 364.489 4.070 1 0 FIAFHN COc1ccc(C(=O)c2c(C)n(CCN3CCCC3)c3ccccc32)cc1 ZINC000013742519 207483531 /nfs/dbraw/zinc/48/35/31/207483531.db2.gz GBWWXVUYSLPVNV-UHFFFAOYSA-N 0 3 362.473 4.285 1 0 FIAFHN Nc1c2ccccc2nc2c1[C@H](N1CCN(c3ccccc3)CC1)CCC2 ZINC000001913929 132382553 /nfs/dbraw/zinc/38/25/53/132382553.db2.gz FDSMRKVPFKEAPH-OAQYLSRUSA-N 0 3 358.489 4.017 1 0 FIAFHN Cc1nn2c(nc(C(C)C)cc2NCCN(C)C)c1-c1ccc(C)cc1 ZINC000095558567 209080147 /nfs/dbraw/zinc/08/01/47/209080147.db2.gz PSRSUYDZIBWNQR-UHFFFAOYSA-N 0 3 351.498 4.110 1 0 FIAFHN c1ccc(Cc2ccc(OC[C@H]3CN(Cc4ccccc4)CCN3)cc2)cc1 ZINC000049089065 581092015 /nfs/dbraw/zinc/09/20/15/581092015.db2.gz POXGQRTZXDIFDA-XMMPIXPASA-N 0 3 372.512 4.130 1 0 FIAFHN C[C@@H]([18F])C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000101031965 209220893 /nfs/dbraw/zinc/22/08/93/209220893.db2.gz QPOSPHNNBYIFHO-BYNNLANUSA-N 0 3 353.472 4.085 1 0 FIAFHN CC(C)(C)[C@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 ZINC000036126648 208149599 /nfs/dbraw/zinc/14/95/99/208149599.db2.gz SGSKDJMEPQTYQW-VQTJNVASSA-N 0 3 370.443 4.305 1 0 FIAFHN CCCCNC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(C)cc1 ZINC000040617106 208258759 /nfs/dbraw/zinc/25/87/59/208258759.db2.gz JCYSDBKVHHZLNV-IBGZPJMESA-N 0 3 351.494 4.494 1 0 FIAFHN COc1cccc(C2=CC(C)(C)Oc3cc(OCCN(C)C)ccc32)c1 ZINC000045226665 208327089 /nfs/dbraw/zinc/32/70/89/208327089.db2.gz YACQXMDFTBSJPQ-UHFFFAOYSA-N 0 3 353.462 4.238 1 0 FIAFHN CCC(=O)C[C@H]1c2ccccc2N=C(n2ccnc2)N1c1ccc(F)cc1 ZINC000103176609 132236936 /nfs/dbraw/zinc/23/69/36/132236936.db2.gz KMIYBIZAONFAOE-FQEVSTJZSA-N 0 3 362.408 4.489 1 0 FIAFHN C[C@H]([18F])C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000101031963 209220133 /nfs/dbraw/zinc/22/01/33/209220133.db2.gz QPOSPHNNBYIFHO-VQOOMOCHSA-N 0 3 353.472 4.085 1 0 FIAFHN OC[C@]1(Cc2ccccc2F)CCCN(Cc2ccc3ccccc3n2)C1 ZINC000011661560 207317030 /nfs/dbraw/zinc/31/70/30/207317030.db2.gz PITCZTJEGNGQAM-QHCPKHFHSA-N 0 3 364.464 4.191 1 0 FIAFHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012481231 207383697 /nfs/dbraw/zinc/38/36/97/207383697.db2.gz VOOMTGMTOGFBQE-SEJPIABJSA-N 0 3 370.443 4.280 3 0 FIAFHN CN1CCC(c2coc3ccc(NC(=O)c4ccc(F)cc4)nc32)CC1 ZINC000013588431 207470288 /nfs/dbraw/zinc/47/02/88/207470288.db2.gz HRWIWORTVMTKLU-UHFFFAOYSA-N 0 3 353.397 4.028 1 0 FIAFHN OCCN1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160961 208150097 /nfs/dbraw/zinc/15/00/97/208150097.db2.gz VROCHRIONFIYID-HXUWFJFHSA-N 0 3 351.425 4.012 1 0 FIAFHN COC(=O)/C=C1\c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 ZINC000040457109 208254444 /nfs/dbraw/zinc/25/44/44/208254444.db2.gz RTQUFSNLDJGBIR-CJLVFECKSA-N 0 3 363.457 4.136 1 0 FIAFHN Clc1ccc2c(c1)nccc2NCCN1CCN(c2ccccc2)CC1 ZINC000026653421 136153230 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