smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCCC23CCN(c2nc(-c4ccncc4)ccc2C#N)CC3)cs1 ZINC001164691554 719813488 /nfs/dbraw/zinc/81/34/88/719813488.db2.gz GZKBHUJHMWPVRH-UHFFFAOYSA-N 0 1 430.581 4.415 20 30 IIEDMN C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696216 719895183 /nfs/dbraw/zinc/89/51/83/719895183.db2.gz CHJLHRAACKANOU-UHFFFAOYSA-N 0 1 425.674 4.243 20 30 IIEDMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164805253 721588195 /nfs/dbraw/zinc/58/81/95/721588195.db2.gz LENNTUYEVPKHNZ-WMTXJRDZSA-N 0 1 433.943 4.023 20 30 IIEDMN N#Cc1ccc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1Cl ZINC001164695663 719886609 /nfs/dbraw/zinc/88/66/09/719886609.db2.gz PRZIOJFYJVPRTC-UHFFFAOYSA-N 0 1 438.931 4.084 20 30 IIEDMN N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164730604 720478225 /nfs/dbraw/zinc/47/82/25/720478225.db2.gz UPDFIZSLVKWUDL-VQTJNVASSA-N 0 1 432.915 4.042 20 30 IIEDMN Cc1ccc([C@H](C#N)c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nn2)cc1 ZINC001164863708 720926685 /nfs/dbraw/zinc/92/66/85/720926685.db2.gz YSOHQKBIVXJDKJ-KNQAVFIVSA-N 0 1 429.572 4.058 20 30 IIEDMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)CC3)C2)cc1 ZINC001164940804 721926028 /nfs/dbraw/zinc/92/60/28/721926028.db2.gz UZPZRCFZKSQETJ-UHFFFAOYSA-N 0 1 446.929 4.331 20 30 IIEDMN C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164707880 719907519 /nfs/dbraw/zinc/90/75/19/719907519.db2.gz YAYYWHUGPNNSCE-UHFFFAOYSA-N 0 1 425.674 4.243 20 30 IIEDMN N#Cc1ccc(-c2ccncc2)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907853 721721710 /nfs/dbraw/zinc/72/17/10/721721710.db2.gz UUURFZKZSIZIHA-XMMPIXPASA-N 0 1 446.505 4.148 20 30 IIEDMN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730715 720490478 /nfs/dbraw/zinc/49/04/78/720490478.db2.gz VAIQAPGQVIUMBL-UXHICEINSA-N 0 1 425.870 4.286 20 30 IIEDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)[C@H]2C ZINC001164860376 721005234 /nfs/dbraw/zinc/00/52/34/721005234.db2.gz NLEDAXYDXITWJZ-FQEVSTJZSA-N 0 1 444.583 4.345 20 30 IIEDMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(-c3ccncc3)ccc2C#N)CC1 ZINC001165020505 721843275 /nfs/dbraw/zinc/84/32/75/721843275.db2.gz FGPJDGXEFCVEAJ-UHFFFAOYSA-N 0 1 443.551 4.133 20 30 IIEDMN C=CCOC[C@@H]1CCC[C@]12CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CCO2 ZINC001164978962 722167971 /nfs/dbraw/zinc/16/79/71/722167971.db2.gz SNJHDJXAEXDZPR-IGKIAQTJSA-N 0 1 433.596 4.218 20 30 IIEDMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccc(Br)cc1C#N ZINC001473840243 1126200616 /nfs/dbraw/zinc/20/06/16/1126200616.db2.gz TZCOYXCFVJTDBU-SFHVURJKSA-N 0 1 438.163 4.167 20 30 IIEDMN CCCc1cc(C#N)c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1Cl ZINC001164699299 719894487 /nfs/dbraw/zinc/89/44/87/719894487.db2.gz ZJKAZQDRFGHFPY-UHFFFAOYSA-N 0 1 431.005 4.492 20 30 IIEDMN N#Cc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)cc1Cl ZINC001164912861 721733481 /nfs/dbraw/zinc/73/34/81/721733481.db2.gz QRSDJDBLPHZBDX-IBGZPJMESA-N 0 1 438.309 4.393 20 30 IIEDMN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725810 720476569 /nfs/dbraw/zinc/47/65/69/720476569.db2.gz KLQBCFLPENJZRP-RBUKOAKNSA-N 0 1 432.915 4.042 20 30 IIEDMN Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12 ZINC001164801788 721592196 /nfs/dbraw/zinc/59/21/96/721592196.db2.gz FTQQBCFXVXOLJA-HFMPRLQTSA-N 0 1 447.970 4.332 20 30 IIEDMN N#Cc1cc(Cl)c(Cl)nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907866 721705237 /nfs/dbraw/zinc/70/52/37/721705237.db2.gz UWRGOLRDGRDYEJ-IBGZPJMESA-N 0 1 438.309 4.393 20 30 IIEDMN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCN(CCOc3ccccc3)CC2)cc1F ZINC001165044350 721956592 /nfs/dbraw/zinc/95/65/92/721956592.db2.gz MRWYPGLMTOBDIX-UHFFFAOYSA-N 0 1 437.906 4.009 20 30 IIEDMN N#Cc1ccc(-c2ccncc2)nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907848 721722150 /nfs/dbraw/zinc/72/21/50/721722150.db2.gz UUURFZKZSIZIHA-DEOSSOPVSA-N 0 1 446.505 4.148 20 30 IIEDMN CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993761 722205489 /nfs/dbraw/zinc/20/54/89/722205489.db2.gz AQLXBABDSMFSMM-VWLOTQADSA-N 0 1 435.547 4.322 20 30 IIEDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)[C@@H]2C ZINC001164860377 721005868 /nfs/dbraw/zinc/00/58/68/721005868.db2.gz NLEDAXYDXITWJZ-HXUWFJFHSA-N 0 1 444.583 4.345 20 30 IIEDMN CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993760 722205018 /nfs/dbraw/zinc/20/50/18/722205018.db2.gz AQLXBABDSMFSMM-RUZDIDTESA-N 0 1 435.547 4.322 20 30 IIEDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)[C@@H]2C ZINC001164863240 720924472 /nfs/dbraw/zinc/92/44/72/720924472.db2.gz XTCVVVMOKBEAMO-GFCCVEGCSA-N 0 1 443.329 4.423 20 30 IIEDMN N#Cc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)cc1Cl ZINC001164912863 721732766 /nfs/dbraw/zinc/73/27/66/721732766.db2.gz QRSDJDBLPHZBDX-LJQANCHMSA-N 0 1 438.309 4.393 20 30 IIEDMN N#Cc1c(Cl)cc(Cl)nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913903 721734784 /nfs/dbraw/zinc/73/47/84/721734784.db2.gz ZJYYVYUFEQUUKF-IBGZPJMESA-N 0 1 438.309 4.393 20 30 IIEDMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)CC3)C2)cc1 ZINC001164940361 721921097 /nfs/dbraw/zinc/92/10/97/721921097.db2.gz ZNPYVEHIKFWFQR-UHFFFAOYSA-N 0 1 446.929 4.331 20 30 IIEDMN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164697487 719893653 /nfs/dbraw/zinc/89/36/53/719893653.db2.gz KDRSABJSZSMWCA-UHFFFAOYSA-N 0 1 438.931 4.084 20 30 IIEDMN N#Cc1cc(Cl)c(Cl)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907869 721705558 /nfs/dbraw/zinc/70/55/58/721705558.db2.gz UWRGOLRDGRDYEJ-LJQANCHMSA-N 0 1 438.309 4.393 20 30 IIEDMN N#Cc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc2ccc(Cl)cc12 ZINC001164964381 722061349 /nfs/dbraw/zinc/06/13/49/722061349.db2.gz FYXLCKUNGGJABJ-UHFFFAOYSA-N 0 1 447.970 4.274 20 30 IIEDMN C=CCOC[C@H]1CCC[C@@]12CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CCO2 ZINC001164978964 722167798 /nfs/dbraw/zinc/16/77/98/722167798.db2.gz SNJHDJXAEXDZPR-SHQCIBLASA-N 0 1 433.596 4.218 20 30 IIEDMN N#Cc1cc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cnc1Cl ZINC001164698980 719892964 /nfs/dbraw/zinc/89/29/64/719892964.db2.gz VCDBICONZMLOPG-UHFFFAOYSA-N 0 1 438.931 4.084 20 30 IIEDMN N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164725262 720478122 /nfs/dbraw/zinc/47/81/22/720478122.db2.gz JATZUWVNUYMCBM-UXHICEINSA-N 0 1 432.915 4.042 20 30 IIEDMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)CC3)C2)cc1 ZINC001164939761 721926888 /nfs/dbraw/zinc/92/68/88/721926888.db2.gz MUABTUVMQULVBT-UHFFFAOYSA-N 0 1 446.929 4.331 20 30 IIEDMN C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CCO2 ZINC001164978963 722167762 /nfs/dbraw/zinc/16/77/62/722167762.db2.gz SNJHDJXAEXDZPR-RPLLCQBOSA-N 0 1 433.596 4.218 20 30 IIEDMN CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993229 722196894 /nfs/dbraw/zinc/19/68/94/722196894.db2.gz DBRRTWWZFZGUMJ-HSZRJFAPSA-N 0 1 442.922 4.167 20 30 IIEDMN N#Cc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164997978 722213130 /nfs/dbraw/zinc/21/31/30/722213130.db2.gz UATJQZKNLBFBMC-XMMPIXPASA-N 0 1 431.471 4.399 20 30 IIEDMN Cc1nc(CN2CCCC23CCN(c2cc(C#N)c4cc([N+](=O)[O-])ccc4n2)CC3)cs1 ZINC001164704069 719816506 /nfs/dbraw/zinc/81/65/06/719816506.db2.gz XKURWYOLQNPRTC-UHFFFAOYSA-N 0 1 448.552 4.415 20 30 IIEDMN CSc1nc(-c2ccccc2)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1C#N ZINC001164856254 720976523 /nfs/dbraw/zinc/97/65/23/720976523.db2.gz AGRPPOBAGMXGIL-QGZVFWFLSA-N 0 1 447.612 4.355 20 30 IIEDMN N#Cc1c(Cl)cc(Cl)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913905 721734122 /nfs/dbraw/zinc/73/41/22/721734122.db2.gz ZJYYVYUFEQUUKF-LJQANCHMSA-N 0 1 438.309 4.393 20 30 IIEDMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C#N)c(Cl)cc2Cl)CC1 ZINC001165031153 721844649 /nfs/dbraw/zinc/84/46/49/721844649.db2.gz VJGJAHUVDDCVON-UHFFFAOYSA-N 0 1 435.355 4.378 20 30 IIEDMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)CC3)C2)cc1 ZINC001164939346 721926659 /nfs/dbraw/zinc/92/66/59/721926659.db2.gz JKLNEWLVPVHFRN-UHFFFAOYSA-N 0 1 446.929 4.331 20 30 IIEDMN Cc1c(Cl)c(Cl)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1C#N ZINC001164960524 722054054 /nfs/dbraw/zinc/05/40/54/722054054.db2.gz RHHBSPNONSJIDK-UHFFFAOYSA-N 0 1 446.382 4.083 20 30 IIEDMN Cc1nc(CN2CCCC23CCN(c2ccc(C4(C#N)CCOCC4)cn2)CC3)cs1 ZINC001164691573 719812586 /nfs/dbraw/zinc/81/25/86/719812586.db2.gz HTLJXUKGELMBPT-UHFFFAOYSA-N 0 1 437.613 4.053 20 30 IIEDMN N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164730602 720477437 /nfs/dbraw/zinc/47/74/37/720477437.db2.gz UPDFIZSLVKWUDL-UXHICEINSA-N 0 1 432.915 4.042 20 30 IIEDMN N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164730599 720478029 /nfs/dbraw/zinc/47/80/29/720478029.db2.gz UPDFIZSLVKWUDL-PMACEKPBSA-N 0 1 432.915 4.042 20 30 IIEDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)[C@H]2C ZINC001164863242 720925621 /nfs/dbraw/zinc/92/56/21/720925621.db2.gz XTCVVVMOKBEAMO-LBPRGKRZSA-N 0 1 443.329 4.423 20 30 IIEDMN N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695340 719887224 /nfs/dbraw/zinc/88/72/24/719887224.db2.gz OOFCDGQIIVZTTQ-UHFFFAOYSA-N 0 1 438.931 4.084 20 30 IIEDMN N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695297 719887990 /nfs/dbraw/zinc/88/79/90/719887990.db2.gz MBQAMPWCCQIULJ-UHFFFAOYSA-N 0 1 439.972 4.088 20 30 IIEDMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164805256 721588345 /nfs/dbraw/zinc/58/83/45/721588345.db2.gz LENNTUYEVPKHNZ-ZDXQCDESSA-N 0 1 433.943 4.023 20 30 IIEDMN Cc1ccc(CN2CCOC3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)CC3)C2)cc1 ZINC001164940427 721923034 /nfs/dbraw/zinc/92/30/34/721923034.db2.gz QDMHEKHPPDVTCA-UHFFFAOYSA-N 0 1 447.970 4.335 20 30 IIEDMN C=CCOC[C@H]1CCC[C@]12CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CCO2 ZINC001164978965 722167913 /nfs/dbraw/zinc/16/79/13/722167913.db2.gz SNJHDJXAEXDZPR-SQHAQQRYSA-N 0 1 433.596 4.218 20 30 IIEDMN CSc1nc(Cl)c(C=NO)c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995888 722196408 /nfs/dbraw/zinc/19/64/08/722196408.db2.gz YZAXRMLJWGKPLW-FQEVSTJZSA-N 0 1 435.956 4.044 20 30 IIEDMN Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12 ZINC001164801791 721592183 /nfs/dbraw/zinc/59/21/83/721592183.db2.gz FTQQBCFXVXOLJA-ZFGGDYGUSA-N 0 1 447.970 4.332 20 30 IIEDMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)cc(Cl)c2C#N)CC1 ZINC001165030911 721844717 /nfs/dbraw/zinc/84/47/17/721844717.db2.gz LYSBSWSDVYSYPL-UHFFFAOYSA-N 0 1 435.355 4.378 20 30 IIEDMN N#Cc1c(Cl)c2ccccc2nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962193 722059528 /nfs/dbraw/zinc/05/95/28/722059528.db2.gz PMQRYGSGZVSAPS-UHFFFAOYSA-N 0 1 447.970 4.274 20 30 IIEDMN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164742457 720597235 /nfs/dbraw/zinc/59/72/35/720597235.db2.gz NJJBTUQFXPBRMC-UHFFFAOYSA-N 0 1 438.938 4.062 20 30 IIEDMN N#Cc1ccc(-c2cccs2)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962353 722059966 /nfs/dbraw/zinc/05/99/66/722059966.db2.gz RJIVAVPOUSQWGQ-UHFFFAOYSA-N 0 1 445.592 4.196 20 30 IIEDMN CC1(C)CCCc2cc(C#N)c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc21 ZINC001164966451 722062327 /nfs/dbraw/zinc/06/23/27/722062327.db2.gz TZNKZCSPULXDJH-UHFFFAOYSA-N 0 1 445.611 4.081 20 30 IIEDMN N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164725266 720477823 /nfs/dbraw/zinc/47/78/23/720477823.db2.gz JATZUWVNUYMCBM-WOJBJXKFSA-N 0 1 432.915 4.042 20 30 IIEDMN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730718 720490392 /nfs/dbraw/zinc/49/03/92/720490392.db2.gz VAIQAPGQVIUMBL-VQTJNVASSA-N 0 1 425.870 4.286 20 30 IIEDMN Cc1ccc([C@@H](C#N)c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nn2)cc1 ZINC001164863712 720927023 /nfs/dbraw/zinc/92/70/23/720927023.db2.gz YSOHQKBIVXJDKJ-SIKLNZKXSA-N 0 1 429.572 4.058 20 30 IIEDMN Cc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(C#N)c(C)c1Cl ZINC001164907471 721585528 /nfs/dbraw/zinc/58/55/28/721585528.db2.gz UAPFFVAOYDKKRP-NRFANRHFSA-N 0 1 431.918 4.356 20 30 IIEDMN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725808 720477817 /nfs/dbraw/zinc/47/78/17/720477817.db2.gz KLQBCFLPENJZRP-OALUTQOASA-N 0 1 432.915 4.042 20 30 IIEDMN Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12 ZINC001164801784 721592006 /nfs/dbraw/zinc/59/20/06/721592006.db2.gz FTQQBCFXVXOLJA-DPLHUUCSSA-N 0 1 447.970 4.332 20 30 IIEDMN CCCc1cc(C#N)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164963242 722057220 /nfs/dbraw/zinc/05/72/20/722057220.db2.gz JMABXMDXDDFDQM-UHFFFAOYSA-N 0 1 439.991 4.073 20 30 IIEDMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)c(Cl)cc2C#N)CC1 ZINC001165021461 721841293 /nfs/dbraw/zinc/84/12/93/721841293.db2.gz NAQIIXGJLDSFTF-UHFFFAOYSA-N 0 1 435.355 4.378 20 30 IIEDMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)CC3)C2)cc1 ZINC001164940606 721926565 /nfs/dbraw/zinc/92/65/65/721926565.db2.gz URSMOEHXZPOKAL-UHFFFAOYSA-N 0 1 446.929 4.331 20 30 IIEDMN N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164725264 720477123 /nfs/dbraw/zinc/47/71/23/720477123.db2.gz JATZUWVNUYMCBM-VQTJNVASSA-N 0 1 432.915 4.042 20 30 IIEDMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccc(Br)cc1C#N ZINC001473840242 1126200592 /nfs/dbraw/zinc/20/05/92/1126200592.db2.gz TZCOYXCFVJTDBU-GOSISDBHSA-N 0 1 438.163 4.167 20 30 IIEDMN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725814 720477281 /nfs/dbraw/zinc/47/72/81/720477281.db2.gz KLQBCFLPENJZRP-RTBURBONSA-N 0 1 432.915 4.042 20 30 IIEDMN CSc1nc(-c2ccccc2)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1C#N ZINC001164856251 720978103 /nfs/dbraw/zinc/97/81/03/720978103.db2.gz AGRPPOBAGMXGIL-KRWDZBQOSA-N 0 1 447.612 4.355 20 30 IIEDMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164805242 721588373 /nfs/dbraw/zinc/58/83/73/721588373.db2.gz LENNTUYEVPKHNZ-AKFKNWHVSA-N 0 1 433.943 4.023 20 30 IIEDMN CSc1nc(Cl)c(C=NO)c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995889 722196271 /nfs/dbraw/zinc/19/62/71/722196271.db2.gz YZAXRMLJWGKPLW-HXUWFJFHSA-N 0 1 435.956 4.044 20 30 IIEDMN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164698340 719896316 /nfs/dbraw/zinc/89/63/16/719896316.db2.gz RONPPPOELVXGPD-UHFFFAOYSA-N 0 1 438.931 4.084 20 30 IIEDMN N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164730607 720477884 /nfs/dbraw/zinc/47/78/84/720477884.db2.gz UPDFIZSLVKWUDL-WOJBJXKFSA-N 0 1 432.915 4.042 20 30 IIEDMN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730703 720490308 /nfs/dbraw/zinc/49/03/08/720490308.db2.gz VAIQAPGQVIUMBL-PMACEKPBSA-N 0 1 425.870 4.286 20 30 IIEDMN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730720 720490364 /nfs/dbraw/zinc/49/03/64/720490364.db2.gz VAIQAPGQVIUMBL-WOJBJXKFSA-N 0 1 425.870 4.286 20 30 IIEDMN Cc1ccc([C@H](C#N)c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nn2)cc1 ZINC001164863715 720927615 /nfs/dbraw/zinc/92/76/15/720927615.db2.gz YSOHQKBIVXJDKJ-UGKGYDQZSA-N 0 1 429.572 4.058 20 30 IIEDMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164805249 721588095 /nfs/dbraw/zinc/58/80/95/721588095.db2.gz LENNTUYEVPKHNZ-CQOQZXRMSA-N 0 1 433.943 4.023 20 30 IIEDMN Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c12 ZINC001164801781 721592267 /nfs/dbraw/zinc/59/22/67/721592267.db2.gz FTQQBCFXVXOLJA-AWRGLXIESA-N 0 1 447.970 4.332 20 30 IIEDMN N#Cc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164997976 722213162 /nfs/dbraw/zinc/21/31/62/722213162.db2.gz UATJQZKNLBFBMC-DEOSSOPVSA-N 0 1 431.471 4.399 20 30 IIEDMN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696724 719892672 /nfs/dbraw/zinc/89/26/72/719892672.db2.gz HZGWNCSINYPPFJ-UHFFFAOYSA-N 0 1 438.931 4.084 20 30 IIEDMN N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164725259 720477747 /nfs/dbraw/zinc/47/77/47/720477747.db2.gz JATZUWVNUYMCBM-PMACEKPBSA-N 0 1 432.915 4.042 20 30 IIEDMN CSc1nc(Cl)c(C#N)c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164692671 719803527 /nfs/dbraw/zinc/80/35/27/719803527.db2.gz OOCCMSOPGIJEEF-UHFFFAOYSA-N 0 1 435.022 4.124 20 30 IIEDMN N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164739122 720599891 /nfs/dbraw/zinc/59/98/91/720599891.db2.gz FIUPYIMFOJINBG-UHFFFAOYSA-N 0 1 441.366 4.268 20 30 IIEDMN Cc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(C#N)c(C)c1Cl ZINC001164907472 721585394 /nfs/dbraw/zinc/58/53/94/721585394.db2.gz UAPFFVAOYDKKRP-OAQYLSRUSA-N 0 1 431.918 4.356 20 30 IIEDMN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694737 719890382 /nfs/dbraw/zinc/89/03/82/719890382.db2.gz DQEYBQJLEQNKPH-UHFFFAOYSA-N 0 1 438.931 4.084 20 30 IIEDMN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725806 720478072 /nfs/dbraw/zinc/47/80/72/720478072.db2.gz KLQBCFLPENJZRP-MOPGFXCFSA-N 0 1 432.915 4.042 20 30 IIEDMN Cc1ccc([C@@H](C#N)c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nn2)cc1 ZINC001164863705 720926818 /nfs/dbraw/zinc/92/68/18/720926818.db2.gz YSOHQKBIVXJDKJ-DENIHFKCSA-N 0 1 429.572 4.058 20 30 IIEDMN N#Cc1cc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cc(Cl)n1 ZINC001164694563 719892239 /nfs/dbraw/zinc/89/22/39/719892239.db2.gz AEEQTKPMPTVHNP-UHFFFAOYSA-N 0 1 438.931 4.084 20 30 IIEDMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)c(Cl)c(C)c2C#N)CC1 ZINC001165021353 721838036 /nfs/dbraw/zinc/83/80/36/721838036.db2.gz LWJUFWCFPRSGTK-UHFFFAOYSA-N 0 1 428.964 4.342 20 30 IIEDMN CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993230 722196874 /nfs/dbraw/zinc/19/68/74/722196874.db2.gz DBRRTWWZFZGUMJ-QHCPKHFHSA-N 0 1 442.922 4.167 20 30 IIEDMN