smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H](c1cc2cc(Cl)ccc2o1)c1ccc(Br)cc1 ZINC000020389712 202040117 /nfs/dbraw/zinc/04/01/17/202040117.db2.gz MKKKWCANRTYXGW-HNNXBMFYSA-N 1 1 336.616 4.897 10 0 EJAEMO C[N@H+]1[C@@H]2CC[C@H]1CC(CNCc1c(Cl)ccc(Cl)c1Cl)C2 ZINC000038019173 213191184 /nfs/dbraw/zinc/19/11/84/213191184.db2.gz OAWYOUDESWYGCW-YOGCLGLASA-N 1 1 347.717 4.609 10 0 EJAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNCc1c(Cl)ccc(Cl)c1Cl)C2 ZINC000038019173 213191188 /nfs/dbraw/zinc/19/11/88/213191188.db2.gz OAWYOUDESWYGCW-YOGCLGLASA-N 1 1 347.717 4.609 10 0 EJAEMO CC(C)C[N@@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1ccccn1 ZINC000055368716 563934526 /nfs/dbraw/zinc/93/45/26/563934526.db2.gz UAVPDQNDRDAVPG-GOSISDBHSA-N 1 1 330.497 4.653 10 0 EJAEMO CCc1ccc([C@H]([NH2+]C)c2cc(Br)ccc2Cl)o1 ZINC000051727025 214101858 /nfs/dbraw/zinc/10/18/58/214101858.db2.gz OUCPLCRXSWHMTH-CQSZACIVSA-N 1 1 328.637 4.567 10 0 EJAEMO Cc1cc(Nc2ccc(Br)cc2)c2cc(F)ccc2[nH+]1 ZINC000032606647 202228755 /nfs/dbraw/zinc/22/87/55/202228755.db2.gz YHAOVDDCWMEFSW-UHFFFAOYSA-N 1 1 331.188 4.610 10 0 EJAEMO CC(C)[N@@H+](Cc1ccc(Br)s1)Cc1cccc(N)c1 ZINC000035365609 213022994 /nfs/dbraw/zinc/02/29/94/213022994.db2.gz NGTGBWVOJVRAKA-UHFFFAOYSA-N 1 1 339.302 4.503 10 0 EJAEMO CCCC[N@H+]1CC[C@@H](N(CC(C)C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073656116 202370028 /nfs/dbraw/zinc/37/00/28/202370028.db2.gz FZAJLDJWUUMANJ-DLBZAZTESA-N 1 1 326.525 4.533 10 0 EJAEMO C[N@H+]1CCC[C@H]1CCNc1cc(-c2ccccc2F)nc2ccccc21 ZINC000028639824 201388593 /nfs/dbraw/zinc/38/85/93/201388593.db2.gz CZCSWFVUTOONAK-INIZCTEOSA-N 1 1 349.453 4.937 10 0 EJAEMO CCCC[N@H+](CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1 ZINC000022924819 212335803 /nfs/dbraw/zinc/33/58/03/212335803.db2.gz OUFQPJNFZFDVCB-UHFFFAOYSA-N 1 1 343.342 4.734 10 0 EJAEMO CCCCN(CCc1ccc(Cl)c(Cl)c1)CC[NH+]1CCCC1 ZINC000022924819 212335806 /nfs/dbraw/zinc/33/58/06/212335806.db2.gz OUFQPJNFZFDVCB-UHFFFAOYSA-N 1 1 343.342 4.734 10 0 EJAEMO Brc1ccc2c(c1)[C@@H](Nc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000040834778 213391500 /nfs/dbraw/zinc/39/15/00/213391500.db2.gz YZTVKYVCOFHLKO-AWEZNQCLSA-N 1 1 342.240 4.815 10 0 EJAEMO Cc1nc(C)c([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000040518812 213331730 /nfs/dbraw/zinc/33/17/30/213331730.db2.gz XXFYOIPKVJYLJE-MRVPVSSYSA-N 1 1 343.265 4.512 10 0 EJAEMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)co2)cc1 ZINC000072141004 216027835 /nfs/dbraw/zinc/02/78/35/216027835.db2.gz KQTMYIZCHCXINZ-BEFAXECRSA-N 1 1 326.440 4.505 10 0 EJAEMO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000073654434 202369873 /nfs/dbraw/zinc/36/98/73/202369873.db2.gz VDIUQSCGOUHYCD-PKOBYXMFSA-N 1 1 346.515 4.544 10 0 EJAEMO CCC[C@]1(c2cccc(OC)c2)CC[N@@H+](CCOc2ccccc2)C1 ZINC000003609308 201360576 /nfs/dbraw/zinc/36/05/76/201360576.db2.gz FYTQTAYCWJNEDW-QFIPXVFZSA-N 1 1 339.479 4.518 10 0 EJAEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000071854610 203128962 /nfs/dbraw/zinc/12/89/62/203128962.db2.gz HMGAACWVSURCEO-SUMDDJOVSA-N 1 1 348.918 4.514 10 0 EJAEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000071854610 203128964 /nfs/dbraw/zinc/12/89/64/203128964.db2.gz HMGAACWVSURCEO-SUMDDJOVSA-N 1 1 348.918 4.514 10 0 EJAEMO C[C@@H](c1cccs1)[N@@H+](C)CCNc1ccc(Br)cc1 ZINC000053431827 214182709 /nfs/dbraw/zinc/18/27/09/214182709.db2.gz IWDUNYUMWPURLP-LBPRGKRZSA-N 1 1 339.302 4.616 10 0 EJAEMO c1cc(C[N@H+](Cc2cccnc2)Cc2ccnc3ccccc23)cs1 ZINC000055359544 214311728 /nfs/dbraw/zinc/31/17/28/214311728.db2.gz DLQUYERYLNVKNR-UHFFFAOYSA-N 1 1 345.471 4.894 10 0 EJAEMO c1cc(C[N@@H+](Cc2cccnc2)Cc2ccnc3ccccc23)cs1 ZINC000055359544 214311731 /nfs/dbraw/zinc/31/17/31/214311731.db2.gz DLQUYERYLNVKNR-UHFFFAOYSA-N 1 1 345.471 4.894 10 0 EJAEMO CCNc1c(CC)c(C)[nH+]c2c(Cl)ccc(Br)c12 ZINC000104017179 219339408 /nfs/dbraw/zinc/33/94/08/219339408.db2.gz VQZNYNICGNPCGK-UHFFFAOYSA-N 1 1 327.653 4.953 10 0 EJAEMO Oc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1 ZINC000019742656 212060214 /nfs/dbraw/zinc/06/02/14/212060214.db2.gz MJXAAAREBDBFNQ-JOCHJYFZSA-N 1 1 349.405 4.667 10 0 EJAEMO Oc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1 ZINC000019742656 212060216 /nfs/dbraw/zinc/06/02/16/212060216.db2.gz MJXAAAREBDBFNQ-JOCHJYFZSA-N 1 1 349.405 4.667 10 0 EJAEMO CCCCC[N@@H+](Cc1ccc(OC)c(Br)c1)C(C)C ZINC000103971876 204090239 /nfs/dbraw/zinc/09/02/39/204090239.db2.gz YAEOPBPDSOFCTA-UHFFFAOYSA-N 1 1 328.294 4.858 10 0 EJAEMO COc1ccccc1C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013720656 563716477 /nfs/dbraw/zinc/71/64/77/563716477.db2.gz ROWNIOXAJSBAGU-UHFFFAOYSA-N 1 1 327.811 4.898 10 0 EJAEMO CCc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)o1 ZINC000042451663 563924752 /nfs/dbraw/zinc/92/47/52/563924752.db2.gz IQTBBNNLXUXPDK-SFHVURJKSA-N 1 1 349.478 4.920 10 0 EJAEMO CC(C)C[N@@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1ccccn1 ZINC000055368714 214312710 /nfs/dbraw/zinc/31/27/10/214312710.db2.gz UAVPDQNDRDAVPG-SFHVURJKSA-N 1 1 330.497 4.653 10 0 EJAEMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)c(F)c1 ZINC000038038935 213195836 /nfs/dbraw/zinc/19/58/36/213195836.db2.gz ZDHSVGXYWBHFND-VIFPVBQESA-N 1 1 344.174 4.717 10 0 EJAEMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000038038974 202091921 /nfs/dbraw/zinc/09/19/21/202091921.db2.gz SMNSOVHUOVNIRJ-JTQLQIEISA-N 1 1 326.184 4.578 10 0 EJAEMO C[NH2+][C@@H](c1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000035463012 213029966 /nfs/dbraw/zinc/02/99/66/213029966.db2.gz ONWCTJAHQVNHPU-AWEZNQCLSA-N 1 1 328.612 4.550 10 0 EJAEMO CCc1ccc2oc([C@@H]([NH3+])c3ccc(Br)cc3)cc2c1 ZINC000020389489 212124755 /nfs/dbraw/zinc/12/47/55/212124755.db2.gz YYPIXCNJNIBYAD-KRWDZBQOSA-N 1 1 330.225 4.806 10 0 EJAEMO C[C@H]1CCCC[N@H+]1CCCOC(=O)c1ccc(-c2ccccc2)cc1 ZINC000005751916 210530374 /nfs/dbraw/zinc/53/03/74/210530374.db2.gz YHUJWSLDSRQQKZ-SFHVURJKSA-N 1 1 337.463 4.775 10 0 EJAEMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000036348376 213085931 /nfs/dbraw/zinc/08/59/31/213085931.db2.gz CGHUXHXBXRMPBO-QHCPKHFHSA-N 1 1 346.474 4.800 10 0 EJAEMO CCc1ccc2oc([C@H]([NH3+])c3ccc(Br)cc3)cc2c1 ZINC000020389495 212124339 /nfs/dbraw/zinc/12/43/39/212124339.db2.gz YYPIXCNJNIBYAD-QGZVFWFLSA-N 1 1 330.225 4.806 10 0 EJAEMO COc1ccccc1C[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000013720709 211620637 /nfs/dbraw/zinc/62/06/37/211620637.db2.gz OMYIVYCMGNFQSB-UHFFFAOYSA-N 1 1 347.458 4.872 10 0 EJAEMO CC[N@@H+](CC(C)C)[C@]1(CC)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952226 564177050 /nfs/dbraw/zinc/17/70/50/564177050.db2.gz BBVKYKCGPFSWGU-LJQANCHMSA-N 1 1 326.525 4.534 10 0 EJAEMO Fc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc3[nH]ccc3c2)cc1 ZINC000055254630 214296789 /nfs/dbraw/zinc/29/67/89/214296789.db2.gz HVTZJQJABQDHMZ-UHFFFAOYSA-N 1 1 345.421 4.904 10 0 EJAEMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccoc3)oc2C)c1 ZINC000019795244 202020770 /nfs/dbraw/zinc/02/07/70/202020770.db2.gz FFRSNBPGOFNKMQ-IBGZPJMESA-N 1 1 338.407 4.589 10 0 EJAEMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccoc3)oc2C)c1 ZINC000019795244 202020773 /nfs/dbraw/zinc/02/07/73/202020773.db2.gz FFRSNBPGOFNKMQ-IBGZPJMESA-N 1 1 338.407 4.589 10 0 EJAEMO CC[C@H](C)[N@@H+](CC)CCCC(=O)c1ccc(Br)cc1 ZINC000037323247 213140790 /nfs/dbraw/zinc/14/07/90/213140790.db2.gz ODMIWMUCQWJLOS-ZDUSSCGKSA-N 1 1 326.278 4.532 10 0 EJAEMO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656508 202369925 /nfs/dbraw/zinc/36/99/25/202369925.db2.gz WVIAQSOYILFTJV-IEBWSBKVSA-N 1 1 346.515 4.687 10 0 EJAEMO Oc1ccc(C[N@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1 ZINC000019742654 212060850 /nfs/dbraw/zinc/06/08/50/212060850.db2.gz MJXAAAREBDBFNQ-QFIPXVFZSA-N 1 1 349.405 4.667 10 0 EJAEMO Oc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1 ZINC000019742654 212060852 /nfs/dbraw/zinc/06/08/52/212060852.db2.gz MJXAAAREBDBFNQ-QFIPXVFZSA-N 1 1 349.405 4.667 10 0 EJAEMO CCOC(=O)c1ccc(Nc2cc[nH+]c3ccc(OCC)cc23)cc1 ZINC000072237223 216076644 /nfs/dbraw/zinc/07/66/44/216076644.db2.gz IQMHNRGIIUKSKB-UHFFFAOYSA-N 1 1 336.391 4.554 10 0 EJAEMO Cc1nc(C)c([C@H](C)[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000040518813 203314805 /nfs/dbraw/zinc/31/48/05/203314805.db2.gz XXFYOIPKVJYLJE-QMMMGPOBSA-N 1 1 343.265 4.512 10 0 EJAEMO COc1ccc(-c2nc(C[N@@H+](C)CC(C)C)c(C)o2)c2ccccc12 ZINC000012055001 211284671 /nfs/dbraw/zinc/28/46/71/211284671.db2.gz WPHKBFUYNLBDDV-UHFFFAOYSA-N 1 1 338.451 4.900 10 0 EJAEMO Cc1cccc(Cl)c1NC(=O)CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000003602027 210063438 /nfs/dbraw/zinc/06/34/38/210063438.db2.gz STIWJDAWNRMHAT-WBVHZDCISA-N 1 1 334.891 4.632 10 0 EJAEMO CCOC(=O)c1cccc(Nc2cc[nH+]c3ccc(OCC)cc23)c1 ZINC000072237226 216076295 /nfs/dbraw/zinc/07/62/95/216076295.db2.gz FTWCCFLMYCGKKG-UHFFFAOYSA-N 1 1 336.391 4.554 10 0 EJAEMO CCCC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@H](C)CC ZINC000070139094 203074036 /nfs/dbraw/zinc/07/40/36/203074036.db2.gz PIZDFWXZVSRRQT-CYBMUJFWSA-N 1 1 328.294 4.858 10 0 EJAEMO C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088772 218278019 /nfs/dbraw/zinc/27/80/19/218278019.db2.gz CUAHTUNOIDVLPE-CABCVRRESA-N 1 1 338.517 4.531 10 0 EJAEMO CCC[C@@]1(c2cccc(OC)c2)CC[N@@H+](CCOc2ccccc2)C1 ZINC000003609306 210064809 /nfs/dbraw/zinc/06/48/09/210064809.db2.gz FYTQTAYCWJNEDW-JOCHJYFZSA-N 1 1 339.479 4.518 10 0 EJAEMO CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032556 213194018 /nfs/dbraw/zinc/19/40/18/213194018.db2.gz YDPRIMKUXOUWSO-SFHVURJKSA-N 1 1 345.284 4.541 10 0 EJAEMO CCOc1c(C[NH2+]Cc2ccccc2Cl)cc(Cl)cc1OC ZINC000010474087 211175110 /nfs/dbraw/zinc/17/51/10/211175110.db2.gz OQXBURNUBKAUDE-UHFFFAOYSA-N 1 1 340.250 4.691 10 0 EJAEMO CCCN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000242688034 258000570 /nfs/dbraw/zinc/00/05/70/258000570.db2.gz VDIUQSCGOUHYCD-MJGOQNOKSA-N 1 1 346.515 4.544 10 0 EJAEMO CC[N@@H+](CCCC(=O)C1CCCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000004214305 210145788 /nfs/dbraw/zinc/14/57/88/210145788.db2.gz WAVYHSURRZBQKO-GOSISDBHSA-N 1 1 345.527 4.878 10 0 in-man EJAEMO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CCc1ccccc1)CC3 ZINC000004217283 210144732 /nfs/dbraw/zinc/14/47/32/210144732.db2.gz CFBQYWXPZVQQTN-QPTUXGOLSA-N 1 1 347.502 4.693 10 0 in-man EJAEMO CCC[N@@H+](CCc1cccs1)[C@@H]1CCc2c(cccc2OC)C1 ZINC000003794357 210074853 /nfs/dbraw/zinc/07/48/53/210074853.db2.gz AXOQYAWBBDSEMG-QGZVFWFLSA-N 1 1 329.509 4.569 10 0 EJAEMO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](CN)c1ccc(OCc2ccccc2)cc1 ZINC000039789212 213242357 /nfs/dbraw/zinc/24/23/57/213242357.db2.gz PQPSQANTEPXUKX-KGVIQGDOSA-N 1 1 338.495 4.528 10 0 EJAEMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccoc3)oc2C)c1 ZINC000019795245 202021151 /nfs/dbraw/zinc/02/11/51/202021151.db2.gz FFRSNBPGOFNKMQ-LJQANCHMSA-N 1 1 338.407 4.589 10 0 EJAEMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccoc3)oc2C)c1 ZINC000019795245 202021153 /nfs/dbraw/zinc/02/11/53/202021153.db2.gz FFRSNBPGOFNKMQ-LJQANCHMSA-N 1 1 338.407 4.589 10 0 EJAEMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)c(F)c1 ZINC000038038936 213195604 /nfs/dbraw/zinc/19/56/04/213195604.db2.gz ZDHSVGXYWBHFND-SECBINFHSA-N 1 1 344.174 4.717 10 0 EJAEMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000036348375 213086710 /nfs/dbraw/zinc/08/67/10/213086710.db2.gz CGHUXHXBXRMPBO-HSZRJFAPSA-N 1 1 346.474 4.800 10 0 EJAEMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000072141005 216027472 /nfs/dbraw/zinc/02/74/72/216027472.db2.gz KQTMYIZCHCXINZ-KXBFYZLASA-N 1 1 326.440 4.505 10 0 EJAEMO C[NH2+][C@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000035501812 202304757 /nfs/dbraw/zinc/30/47/57/202304757.db2.gz UXTIUCJWKJVKTR-LBPRGKRZSA-N 1 1 335.028 4.658 10 0 EJAEMO CCc1ccc([C@@H]([NH2+]C)c2cc(Br)ccc2Cl)o1 ZINC000051727027 214101613 /nfs/dbraw/zinc/10/16/13/214101613.db2.gz OUCPLCRXSWHMTH-AWEZNQCLSA-N 1 1 328.637 4.567 10 0 EJAEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC1c3ccccc3C=Cc3ccccc31)C2 ZINC000100373620 219097360 /nfs/dbraw/zinc/09/73/60/219097360.db2.gz GQAWDMWLORTZKF-PMOLBWCYSA-N 1 1 331.459 4.902 10 0 in-man EJAEMO Clc1ccc2c(c1)nc1n2[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100385504 219098447 /nfs/dbraw/zinc/09/84/47/219098447.db2.gz UUDDMOPQTYNUCE-DOTOQJQBSA-N 1 1 337.854 4.624 10 0 EJAEMO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cc[nH+]cc3)nnc2c1 ZINC000035876196 202310781 /nfs/dbraw/zinc/31/07/81/202310781.db2.gz ZJQVYURHZFRKLA-UHFFFAOYSA-N 1 1 341.418 4.756 10 0 EJAEMO Clc1ccccc1C[N@H+]1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000028642272 201388174 /nfs/dbraw/zinc/38/81/74/201388174.db2.gz VULJUBMONLMHMI-QGZVFWFLSA-N 1 1 337.854 4.575 10 0 EJAEMO [NH3+][C@@H](c1cc2cc(Br)ccc2o1)c1ccc(Cl)cc1 ZINC000020389764 212124306 /nfs/dbraw/zinc/12/43/06/212124306.db2.gz CTXIXGGZEGAYNU-OAHLLOKOSA-N 1 1 336.616 4.897 10 0 EJAEMO CCc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)o1 ZINC000011974659 563652127 /nfs/dbraw/zinc/65/21/27/563652127.db2.gz IQTBBNNLXUXPDK-GOSISDBHSA-N 1 1 349.478 4.920 10 0 EJAEMO CCCC[N@@H+]([C@H](C)CC)[C@@H](c1ccc(Br)s1)[C@@H](C)N ZINC000103931970 219330349 /nfs/dbraw/zinc/33/03/49/219330349.db2.gz FSZJLEVFHUMLEJ-LALPHHSUSA-N 1 1 347.366 4.800 10 0 EJAEMO CCCCN([C@H](C)CC)[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000103931970 219330350 /nfs/dbraw/zinc/33/03/50/219330350.db2.gz FSZJLEVFHUMLEJ-LALPHHSUSA-N 1 1 347.366 4.800 10 0 EJAEMO Fc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1Br ZINC000103980839 219335123 /nfs/dbraw/zinc/33/51/23/219335123.db2.gz LFCUNFQZMFQYMR-CJNGLKHVSA-N 1 1 326.253 4.743 10 0 EJAEMO C[N@@H+]1Cc2sc(Cl)cc2[C@H](c2ccc(Br)cc2)C1 ZINC000038157572 213204016 /nfs/dbraw/zinc/20/40/16/213204016.db2.gz GBOOWQOKZGRVLO-LBPRGKRZSA-N 1 1 342.689 4.741 10 0 EJAEMO CC[C@H](c1ccc(Br)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032557 213194807 /nfs/dbraw/zinc/19/48/07/213194807.db2.gz YDPRIMKUXOUWSO-GOSISDBHSA-N 1 1 345.284 4.541 10 0 EJAEMO C[NH2+][C@@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000035501811 213032978 /nfs/dbraw/zinc/03/29/78/213032978.db2.gz UXTIUCJWKJVKTR-GFCCVEGCSA-N 1 1 335.028 4.658 10 0 EJAEMO C[NH2+][C@H](c1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000035463014 202304844 /nfs/dbraw/zinc/30/48/44/202304844.db2.gz ONWCTJAHQVNHPU-CQSZACIVSA-N 1 1 328.612 4.550 10 0 EJAEMO CC[N@@H+](CC(C)C)[C@@]1(CC)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952225 564177045 /nfs/dbraw/zinc/17/70/45/564177045.db2.gz BBVKYKCGPFSWGU-IBGZPJMESA-N 1 1 326.525 4.534 10 0 EJAEMO CC(C)(C)c1cc(C(=O)[C@H]([NH3+])c2ccccc2)cc(C(C)(C)C)c1O ZINC000039135039 213231752 /nfs/dbraw/zinc/23/17/52/213231752.db2.gz FHHWFRFRZHRWDX-GOSISDBHSA-N 1 1 339.479 4.870 10 0 EJAEMO Cc1cc(Nc2cccc(Br)c2)c2cc(F)ccc2[nH+]1 ZINC000032606572 202228805 /nfs/dbraw/zinc/22/88/05/202228805.db2.gz CQKOXMKUAJUAOH-UHFFFAOYSA-N 1 1 331.188 4.610 10 0 EJAEMO Clc1ccccc1C[N@H+]1CC[C@H](Nc2cccc3cnccc32)C1 ZINC000028642274 201388387 /nfs/dbraw/zinc/38/83/87/201388387.db2.gz VULJUBMONLMHMI-KRWDZBQOSA-N 1 1 337.854 4.575 10 0 EJAEMO CC(C)c1cccc2c(N3CC[NH+](Cc4ccccc4)CC3)ccnc21 ZINC000040175326 132399175 /nfs/dbraw/zinc/39/91/75/132399175.db2.gz VHUYRDGILKVQDY-UHFFFAOYSA-N 1 1 345.490 4.680 10 0 EJAEMO CCC[C@@]1([N@@H+](CC)CC(C)C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265665 563986878 /nfs/dbraw/zinc/98/68/78/563986878.db2.gz SEGAOAYVMGRKKK-HXUWFJFHSA-N 1 1 340.552 4.924 10 0 EJAEMO CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055088897 214271112 /nfs/dbraw/zinc/27/11/12/214271112.db2.gz LONURNGZHZLPGW-ZDUSSCGKSA-N 1 1 344.455 4.529 10 0 EJAEMO Brc1ccc2c(c1)[C@H](Nc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000040834776 213391470 /nfs/dbraw/zinc/39/14/70/213391470.db2.gz YZTVKYVCOFHLKO-CQSZACIVSA-N 1 1 342.240 4.815 10 0 EJAEMO C[N@@H+]1Cc2sc(Cl)cc2[C@@H](c2ccc(Br)cc2)C1 ZINC000038157573 213204362 /nfs/dbraw/zinc/20/43/62/213204362.db2.gz GBOOWQOKZGRVLO-GFCCVEGCSA-N 1 1 342.689 4.741 10 0 EJAEMO Clc1ccc(C[N@H+]2CC[C@@H](Nc3cccc4cnccc43)C2)cc1 ZINC000028642441 201387933 /nfs/dbraw/zinc/38/79/33/201387933.db2.gz UGWBCYQPCXKMGF-GOSISDBHSA-N 1 1 337.854 4.575 10 0 EJAEMO CCCC[N@@H+](CCOc1cccc(Br)c1)[C@H](C)CC ZINC000070139084 203074345 /nfs/dbraw/zinc/07/43/45/203074345.db2.gz PEKUBTDMZHLZBB-CQSZACIVSA-N 1 1 328.294 4.729 10 0 EJAEMO [NH3+][C@H](c1cc2cc(Br)ccc2o1)c1ccc(Cl)cc1 ZINC000020389758 212124528 /nfs/dbraw/zinc/12/45/28/212124528.db2.gz CTXIXGGZEGAYNU-HNNXBMFYSA-N 1 1 336.616 4.897 10 0 EJAEMO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000242688032 258000521 /nfs/dbraw/zinc/00/05/21/258000521.db2.gz VDIUQSCGOUHYCD-IEBWSBKVSA-N 1 1 346.515 4.544 10 0 EJAEMO CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055088894 214270314 /nfs/dbraw/zinc/27/03/14/214270314.db2.gz LONURNGZHZLPGW-CYBMUJFWSA-N 1 1 344.455 4.529 10 0 EJAEMO CCC[N@@H+](Cc1ccc(SC)cc1)Cc1ccnc(C(C)C)n1 ZINC000055211486 214289420 /nfs/dbraw/zinc/28/94/20/214289420.db2.gz LDFVWGNPKKOFRH-UHFFFAOYSA-N 1 1 329.513 4.734 10 0 EJAEMO CC[NH+](CC)c1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000028165829 202166062 /nfs/dbraw/zinc/16/60/62/202166062.db2.gz GGXOZBLOZWQZKX-UHFFFAOYSA-N 1 1 338.480 4.770 10 0 EJAEMO CC[C@@H](C)[N@@H+](CC)CCCC(=O)c1ccc(Br)cc1 ZINC000037323245 213140322 /nfs/dbraw/zinc/14/03/22/213140322.db2.gz ODMIWMUCQWJLOS-CYBMUJFWSA-N 1 1 326.278 4.532 10 0 EJAEMO [NH3+][C@@H](c1cc2cc(Cl)ccc2o1)c1ccc(Br)cc1 ZINC000020389718 212124363 /nfs/dbraw/zinc/12/43/63/212124363.db2.gz MKKKWCANRTYXGW-OAHLLOKOSA-N 1 1 336.616 4.897 10 0 EJAEMO CCC[C@]1([N@@H+](CC)CC(C)C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265664 563986899 /nfs/dbraw/zinc/98/68/99/563986899.db2.gz SEGAOAYVMGRKKK-FQEVSTJZSA-N 1 1 340.552 4.924 10 0 EJAEMO