0 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-1655780339 [0,0,0,0,0,0|0,0,0]=0 1 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-2165856940 [0,0,0,0,0,0|0,0,0]=0 2 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-4220714215 [0,0,0,0,0,0|0,0,0]=0 3 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-4595264440 [0,0,0,0,0,0|0,0,0]=0 4 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-5993711231 [0,0,0,0,0,0|0,0,0]=0 5 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-6008267731 [0,0,0,0,0,0|0,0,0]=0 6 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-7555365348 [0,0,0,0,0,0|0,0,0]=0 7 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-7999715986 [0,0,0,0,0,0|0,0,0]=0 8 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-8469585143 [0,0,0,0,0,0|0,0,0]=0 9 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-8946720507 [0,0,0,0,0,0|0,0,0]=0 10 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-9080818795 [0,0,0,0,0,0|0,0,0]=0 11 B19R1.6625 COCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-9802910201 [0,0,0,0,0,0|0,0,0]=0 12 B19R1.6625 COCCC1=CC=C(C=C1)OC[C@H](O)CNC(C)C MCULE-2528905656 [0,0,0,0,0,0|0,0,0]=0 13 B19R1.6625 COCCC1=CC=C(C=C1)OC[C@H](O)CNC(C)C MCULE-9956830976 [0,0,0,0,0,0|0,0,0]=0 14 B18R1.6572 CCNCC(O)COC1=CC=C(C=C1)CCOC MCULE-8321014847 [1,0,0,0,0,0|0,0,0]=1 15 B18R1.9755 CC(C)NCC(O)COC1=CC=C(C=C1)CC#N MCULE-6345787989 [1,0,0,0,0,0|1,0,1]=3 16 B18R1.9755 CC(C)NCC(O)COC1=CC=C(C=C1)CCO MCULE-5536355200 [1,0,0,0,0,0|0,0,0]=1 17 B18R1.9755 CCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-1806346998 [1,0,0,0,0,0|0,0,0]=1 18 B18R1.9755 CCCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-7790310147 [1,0,0,0,0,0|0,0,0]=1 19 B20R1.47888 COCC(O)C1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-4864802832 [0,1,0,0,0,0|0,0,0]=1 20 B20R2.28938 CC(C)NCC(O)COC1=NC=C2CCCCC2=C1 MCULE-4327399914 [0,0,0,1,0,0|2,0,0]=3 21 B20R2.28938 CC(C)NCC(O)COC1=NC=C2CCCCC2=C1 MCULE-6035713697 [0,0,0,1,0,0|2,0,0]=3 22 B17R1.192 CC(C)NCC(O)COC1=CC=C(C=C1)C=O MCULE-5435379488 [2,0,0,0,0,0|0,0,2]=4 23 B17R1.192 CC(C)NCC(O)COC1=CC=C(C=C1)NO MCULE-8559664883 [2,0,0,0,0,0|1,0,0]=3 24 B17R1.192 CCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-3440748714 [2,0,0,0,0,0|0,0,0]=2 25 B17R1.192 CCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-8746351853 [2,0,0,0,0,0|0,0,0]=2 26 B17R1.192 COC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-1196312885 [2,0,0,0,0,0|0,0,0]=2 27 B17R1.192 COC1=CC=C(C=C1)OCC(O)C[NH2+]C(C)C MCULE-5748273826 [2,0,0,0,0,0|0,0,1]=3 28 B19R1.6624 CCCOC1=CC=C(C=C1)OCCCNC(C)CC MCULE-3132505070 [1,1,0,0,0,0|2,0,0]=4 29 B19R1.6624 CCCOC1=CC=C(C=C1)OCCCNC(C)CC MCULE-6133485587 [1,1,0,0,0,0|2,0,0]=4 30 B19R1.3692 CCCC1=CC=C(C=C1)OCC(O)CNC(C)(C)C MCULE-4473276673 [1,1,0,0,0,0|0,0,0]=2 31 B19R1.3692 CCCC1=CC=C(C=C1)OCC(O)CNC(C)(C)C MCULE-4942331398 [1,1,0,0,0,0|0,0,0]=2 32 B19R1.4676 CC(=O)NC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-5192518606 [1,1,0,0,0,0|1,0,1]=4 33 B19R1.4676 CC(=O)NC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-7992924679 [1,1,0,0,0,0|1,0,1]=4 34 B19R1.4676 CC(C)NCC(O)COC1=CC=C(C=C1)CC(=O)N MCULE-7870637853 [1,1,0,0,0,0|0,0,2]=4 35 B19R1.4676 CC(C)NCC(O)COC1=CC=C(C=C1)CC(=O)N MCULE-9148694071 [1,1,0,0,0,0|0,0,2]=4 36 B19R1.4676 CC(C)NCC(O)COC1=CC=C(C=C1)CC(=O)O MCULE-8885274176 [1,1,0,0,0,0|0,0,1]=3 37 B19R1.4676 CC(C)NC[C@@H](O)COC1=CC=C(C=C1)CC(=O)N MCULE-4852016526 [1,1,0,0,0,0|0,0,2]=4 38 B19R1.4676 CC(C)NC[C@@H](O)COC1=CC=C(C=C1)CC(=O)N MCULE-5894332374 [1,1,0,0,0,0|0,0,2]=4 39 B19R1.4676 CC(C)NC[C@@H](O)COC1=CC=C(C=C1)CC(=O)O MCULE-1499655247 [1,1,0,0,0,0|0,0,1]=3 40 B19R1.4676 CC(C)NC[C@@H](O)COC1=CC=C(C=C1)CC(=O)O MCULE-3044786170 [1,1,0,0,0,0|0,0,1]=3 41 B19R1.4676 CC(C)NC[C@H](O)COC1=CC=C(C=C1)CC(=O)N MCULE-3302522046 [1,1,0,0,0,0|0,0,2]=4 42 B19R1.4676 [C@H](O)(CNC(C)C)COC1=CC=C(C=C1)CC(=O)N MCULE-5083147081 [1,1,0,0,0,0|0,0,2]=4 43 B19R1.44396 CC(=NO)C1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-1647002289 [1,1,0,0,0,0|1,0,1]=4 44 B21R1.6975 COCCC1=CC=C(C=C1)OCC(O)CN(N=O)C(C)C MCULE-8210134835 [0,2,0,0,0,0|0,0,0]=2 45 B21R1.64238 COC(=O)CCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-3617183672 [0,2,0,0,0,0|0,0,0]=2 46 B21R1.64238 COC(=O)CCC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-8829965772 [0,2,0,0,0,0|0,0,0]=2 47 B21R1.84518 CCCC(=O)NC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-6258753418 [0,2,0,0,0,0|1,0,1]=4 48 B21R1.84518 CCCC(=O)NC1=CC=C(C=C1)OCC(O)CNC(C)C MCULE-6302566144 [0,2,0,0,0,0|1,0,1]=4 49 B19R2.513892 CC(C)NCC(O)COC1=CC2=C(C=C1)CCC2 MCULE-6398595525 [1,0,0,1,0,0|0,0,0]=2 50 B19R2.513892 CC(C)NCC(O)COC1=CC2=C(C=C1)CCC2 MCULE-6595366622 [1,0,0,1,0,0|0,0,0]=2